4-chloro-1H-pyrazolo[4,3-c]pyridine
Basic information
- CAS
871836-51-0- Standard SMILES
Clc1nccc2[nH]ncc12- InChIKey
FUXZQGSDRGDYGX-UHFFFAOYSA-N- Molecular formula
- C6H4ClN3
- Average molar mass
- 153.57 g/mol
- Monoisotopic mass
- 153.0093748
Names & identifiers
- Preferred name
- 4-chloro-1H-pyrazolo[4,3-c]pyridine
- IUPAC
- 4-chloro-1H-pyrazolo[4,5-c]pyridine
- English name
- HDH-PHARMA 26173
- Molecular formula
- C6H4ClN3
- Molecular weight
- 153.57
Names & synonyms
4-Chloro-1H-pyrazolo[4,3-c]pyridine871836-51-0DTXSID006765074-Chloro-1H-pyrazolo(4,3-c)pyridineRefChem:291336DTXCID00627256866-718-9937-467-34-Chloro-2H-pyrazolo[4,3-c]pyridine1821250-10-54-Chloro-5H-pyrazolo[4,3-c]pyridineMFCD11870058
Show more names
1H-Pyrazolo[4,3-c]pyridine,4-chloro-100182EOS-61542HDH-PHARMA 261734-chloro-1H-pyrazolo[44-Chloro-1H-pyrazolo[4,3-...4-chloro-1H-pyrazolo[4,4-c]pyridine4-Chloro-1H-pyrazolo[4,3-c]pyridine 98%4-chloro-1H-pyrazolo[4,3-c]pyridin-6-aMine
MFCD315685251936533-43-51H-Pyrazolo[4,3-c]pyridine, 4-chloro-2H-Pyrazolo[4,3-c]pyridine, 4-chloro-SCHEMBL382320SCHEMBL4693319SCHEMBL29366567FUXZQGSDRGDYGX-UHFFFAOYSA-N
Database identifiers
- CAS
871836-51-0- PubChem CID
- 46835637
- DTXSID
DTXSID00676507- EC Number
- 866-718-9、937-467-3
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Boiling point
- 357.5 · 357.5±22.0 °C(Predicted)
- Density
- 1.531 · 1.531
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- form
- solid
- pka
- 10.46 · 10.46±0.40(Predicted)
- Appearance
- White to light yellow Solid
- InChI
- InChI=1S/C6H4ClN3/c7-6-4-3-9-10-5(4)1-2-8-6/h1-3H,(H,9,10)
- InChIKey
- FUXZQGSDRGDYGX-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NC=CC2NN=CC1=2
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 301 · P301+P312+P330-P305+P351+P338
- target organs
- Respiratory system
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P301+P312+P330-P305+P351+P338
Chemistry & industry
Applications
Uses4-Chloro-1H-pyrazolo[4,3-c]pyridine is used to prepare gp120-CD4 inhibitors.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
6 records
Compound notes
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