Basic information
- CAS
5110-02-1- Standard SMILES
Cc1ccc2nc(-c3cccnc3)cc(C(=O)O)c2c1- InChIKey
YVJIAXLVVRQUJP-UHFFFAOYSA-N- Molecular formula
- C16H12N2O2
- Average molar mass
- 264.28 g/mol
- Monoisotopic mass
- 264.08987763
Names & identifiers
- Preferred name
- Cinchoninic acid, 6-methyl-2-(3-pyridyl)-
- IUPAC
- 6-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid
- English name
- 6-Methyl-2-pyridin-3-ylquinoline-4-carboxylic acid
- Molecular formula
- C16H12N2O2
- Molecular weight
- 264.28
Names & synonyms
5110-02-16-methyl-2-(pyridin-3-yl)quinoline-4-carboxylic acidCINCHONINIC ACID, 6-METHYL-2-(3-PYRIDYL)-6-Methyl-2-(3-pyridyl)cinchoninic acidDTXSID101991116-Methyl-2-(3-pyridyl)cinchoninsaeure [German]Kyselin 6-metyl-2-(3-pyridyl)-cinchoninova [Czech]6-Methyl-2-(3-pyridyl)cinchoninsaeureKyselin 6-metyl-2-(3-pyridyl)-cinchoninovaRefChem:577180DTXCID40121602857-685-1
Show more names
SBB009299BAS 13517607CHEMBRDG-BB 3013505ART-CHEM-BB B013505TIMTEC-BB SBB009299
6-methyl-2-pyridin-3-ylquinoline-4-carboxylic acidMFCD002246936-methyl-2-(3-pyridyl)quinoline-4-carboxylic acidOprea1_550347SCHEMBL18320684ALBB-000752BBL016701STK430989
Database identifiers
- CAS
5110-02-1- PubChem CID
- 21187
- DTXSID
DTXSID10199111
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 63.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 360
Physicochemical properties
- form
- solid
- InChI
- 1S/C16H12N2O2/c1-10-4-5-14-12(7-10)13(16(19)20)8-15(18-14)11-3-2-6-17-9-11/h2-9H,1H3,(H,19,20)
- InChIKey
- YVJIAXLVVRQUJP-UHFFFAOYSA-N
- SMILES
- CC1=CC2=C(N=C(C3=CN=CC=C3)C=C2C(O)=O)C=C1
- EWG's Food Scores
- 1 · 1
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 301 · P301+P310
- Hazard Codes
- Xi
- WGK Germany
- 3 · WGK 3
- HazardClass
- IRRITANT
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 Oral · Acute Tox. 3 Oral
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P301+P310
Chemistry & industry
Suppliers2 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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