5-(Pyridin-2-yl)thiophene-2-carboxylic acid

HCID 736482

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Basic information

CAS: 119082-97-2
Standard SMILES: O=C(O)c1ccc(-c2ccccn2)s1
InChIKey: HQULGJDHOPDURG-UHFFFAOYSA-N
Molecular formula: C10H7NO2S
Average molar mass: 205.23 g/mol
Monoisotopic mass: 205.01974946

Names & identifiers

Preferred name: 5-(Pyridin-2-yl)thiophene-2-carboxylic acid
IUPAC: 5-pyridin-2-ylthiophene-2-carboxylic acid
English name: 5-(2-PYRIDYL)THIOPHENE-2-CARBOXYLIC ACID
Molecular formula: C10H7NO2S
Molecular weight: 205.23

Names & synonyms

119082-97-25-(pyridin-2-yl)thiophene-2-carboxylic acidDTXSID90353032RefChem:300663DTXCID003040955-(2-pyridyl)thiophene-2-carboxylic acid5-pyridin-2-ylthiophene-2-carboxylic acidMFCD000528992-Thiophenecarboxylic acid, 5-(2-pyridinyl)-5-Pyridin-2-yl-thiophene-2-carboxylic acidF1956-00072-Thiophenecarboxylic acid, 5-(pyridinyl)-

Show more names

BUTTPARK 29\06-23IFLAB-BB F1956-0007TIMTEC-BB SBB005421RARECHEM AL BE 03465-PYRID-2-YL-THIOPHENE-2-CARBOXYLIC ACID5-Pyrid-2-ylthiophene-2-carboxylice Acid5-Pyridin-2-yl-2-thiophenecarboxylic acid5-(2-Pyridinyl)-2-thiophenecarboxylic acid

CDS1_0000355-pyrid-2-ylthiophene-2-carboxylic acidMaybridge1_002323MLS000685994DivK1c_001075SCHEMBL373105orb3031004CHEMBL1374722

Database identifiers

CAS: 119082-97-2
PubChem CID: 736482
DTXSID: DTXSID90353032
ChEMBL: CHEMBL1374722
EC Number: 672-997-6

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 78.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 222

Physicochemical properties

Melting point: 232 · 232-236°C
storage temp.: 2 · 2-8°C
form: solid
color: Off-white
CAS DataBase Reference: 119082 · 119082-97-2(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P271-P280
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-22
Safety Statements: 26 · 26-36/37/39-37/39
Hazard Note: Irritant
HS Code: 29333990 · 29333990

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.