CAS 39774-28-2 6-Phenylpyridine-2-carboxylic Acid (HCID 2762884)

Substructure search Find similar structures

Basic information

CAS: 39774-28-2
Standard SMILES: O=C(O)c1cccc(-c2ccccc2)n1
InChIKey: CXOPUGLYEYDAMC-UHFFFAOYSA-N
Molecular formula: C12H9NO2
Average molar mass: 199.2 g/mol
Monoisotopic mass: 199.06332853

Names & identifiers

Preferred name: 6-Phenylpyridine-2-carboxylic Acid
IUPAC: 6-phenylpyridine-2-carboxylic acid
English name: 6-Phenylpyridine-2-carboxylic acid
Molecular formula: C12H9NO2
Molecular weight: 199.21

Names & synonyms

6-phenylpyridine-2-carboxylic Acid39774-28-2DTXSID10376541RefChem:309365DTXCID20327569811-151-46-phenylpicolinic acid6-Phenyl-2-pyridinecarboxylic acidMFCD041142062-Pyridinecarboxylic acid, 6-phenyl-AKOS005146142CS-W019679

Show more names

6-Phenylpyridine-2-CarboxylicAci6-Benzyl-2-pyridinecarboxylic acid2-PHENYL-6-PYRIDINE CARBOXYLIC ACID6-PHENYLPYRIDINE-2-CARBOXYLIC ACID, 98+%6-Phenylpicolinic acid, 2-Carboxy-6-phenylpyridine

AC-5441FS-2592SY0199716-Phenylpyridine-2-carboxylicacid6-Phenylpicolinic Acid; 6-Phenyl-2-pyridinecarboxylic Acid;BCP073132-Phenyl-pyridine-6-carboxylic acid6-phenylpicolinicacid

Database identifiers

CAS: 39774-28-2
PubChem CID: 2762884
DTXSID: DTXSID10376541
ChEMBL: CHEMBL5412168
EC Number: 811-151-4
Nikkaji: J2.114.503C

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 50.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 224

Physicochemical properties

Melting point: 107 to · 107.0 to 111.0 °C
Boiling point: 409 · 409.0±33.0 °C(Predicted)
Density: 1.241 · 1.241±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 4.6 · 4.60±0.10(Predicted)
color: White to Pale Beige
CAS DataBase Reference: 39774 · 39774-28-2(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard Codes: Xi
Hazard Note: Irritant

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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

hs_code: 2933399990
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Applications

Uses6-Phenylpyridine-2-carboxylic Acid is used in the preparation of inhibitors acting upon 2-Oxoglutarate-dependant nucleic acid demethylase, involved in nucleic acid repairs and modifications.