Basic information
- CAS
156270-06-3- Standard SMILES
O=C(O)c1c[nH]c2ncccc12- InChIKey
KYBIRFFGAIFLPM-UHFFFAOYSA-N- Molecular formula
- C8H6N2O2
- Average molar mass
- 162.15 g/mol
- Monoisotopic mass
- 162.04292744
Names & identifiers
- Preferred name
- 1H-Pyrrolo(2,3-b)pyridine-3-carboxylic acid
- IUPAC
- 1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
- English name
- 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID
- Molecular formula
- C8H6N2O2
- Molecular weight
- 162.15
Names & synonyms
1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid156270-06-3DTXSID204362211H-Pyrrolo(2,3-b)pyridine-3-carboxylic acidRefChem:240784DTXCID60387046626-855-57-AZAINDOLE-3-CARBOXYLIC ACID1H-Pyrrolo[2,3-b]pyridine-3-carboxylicacidMFCD07778360SCHEMBL9852147-Azaindole-3-carboxylic acid, 95%
Show more names
7-azaindole-3-carboxylic ...7-Azaindole-3-carboxylic acid 95%Methyl 7-azaindole-3-carboxylic acidPyrrolo[2,3-b]pyridine-3-carboxylicacid1H-Pyrrolo[2,3-B]Pyridine-3-CarboxylicAci1H-pyrrolo[2,3-b]pyridine-3-carbo×ylic acid1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 3-Carboxy-1H-pyrrolo[2,3-b]pyridine
CS-W019745PB23519NCGC00326021-01EN300-51102AB01321260-02Z385370186AM200508381H-Pyrrolo[2,3-b]pyr
Database identifiers
- CAS
156270-06-3
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Melting point
- 205 · 205-209 °C
- Boiling point
- 425.3 · 425.3±45.0 °C(Predicted)
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- pka
- 0.52 · 0.52±0.20(Predicted)
- Appearance
- Off-white to light brown Solid
- Water Solubility
- Slightly soluble in water.
- InChI
- InChI=1S/C8H6N2O2/c11-8(12)6-4-10-7-5(6)2-1-3-9-7/h1-4H,(H,9,10)(H,11,12)
- InChIKey
- KYBIRFFGAIFLPM-UHFFFAOYSA-N
- SMILES
- C12NC=C(C(O)=O)C1=CC=CN=2
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29339980
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Uses7-Azaindole-3-carboxylic acid is a reactant for synthesis of azaindol derivatives as new acrosin inhibitors and for preparation of triazoles via regioselective heterocyclizaiton reactions. It is also a reactant for synthesis of azaindolylcarboxy-endo-tropanamide.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海策嵘生物科技有限公司[email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.
Related reactions
176 records
Compound notes
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