CAS 337904-77-5 6-(Propan-2-yl)pyridine-2-carboxylic acid (HCID 21992596)

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Basic information

CAS: 337904-77-5
Standard SMILES: CC(C)c1cccc(C(=O)O)n1
InChIKey: KDGOODJXLHNGMS-UHFFFAOYSA-N
Molecular formula: C9H11NO2
Average molar mass: 165.19 g/mol
Monoisotopic mass: 165.07897859

Names & identifiers

Preferred name: 6-(Propan-2-yl)pyridine-2-carboxylic acid
IUPAC: 6-propan-2-ylpyridine-2-carboxylic acid
English name: 2-Pyridinecarboxylicacid,6-(1-methylethyl)-(9CI)
Molecular formula: C9H11NO2
Molecular weight: 165.19

Names & synonyms

337904-77-56-(propan-2-yl)pyridine-2-carboxylic acidDTXSID20621296RefChem:539863DTXCID00572050100-784-56-Isopropylpicolinic acid6-ISOPROPYLPYRIDINE-2-CARBOXYLIC ACIDMFCD182562066-propan-2-ylpyridine-2-carboxylic acid2-Pyridinecarboxylicacid,6-(1-methylethyl)-(9CI)6-Isopropylpicolinicacid

Show more names

6-Isopropylpyridine-2-car...6-(1-methylethyl)-2-Pyridinecarboxylic acid2-Pyridinecarboxylic acid, 6-(1-methylethyl)-

SCHEMBL100967KDGOODJXLHNGMS-UHFFFAOYSA-NMNA90477AKOS016009583PB11338AS-34896SY042187DB-369321

Database identifiers

CAS: 337904-77-5
PubChem CID: 21992596
DTXSID: DTXSID20621296
EC Number: 100-784-5

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 50.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 168

Physicochemical properties

storage temp.: 2 · 2-8°C
Appearance: Off-white to gray Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

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.