2-chloro-5-thiophen-2-ylpyridine-3-carboxylic acid

C10H6ClNO2S — CID 53222494

IUPAC2-chloro-5-thiophen-2-ylpyridine-3-carboxylic acid
SMILESO=C(O)c1cc(-c2cccs2)cnc1Cl
InChIInChI=1S/C10H6ClNO2S/c11-9-7(10(13)14)4-6(5-12-9)8-2-1-3-15-8/h1-5H,(H,13,14)
InChIKeyQBUUAZLCRBLZHK-UHFFFAOYSA-N
MW239.68 g/mol
LogP3.16
Rot. Bonds2

About 2-chloro-5-thiophen-2-ylpyridine-3-carboxylic acid

2-chloro-5-thiophen-2-ylpyridine-3-carboxylic acid (PubChem CID 53222494) has the molecular formula C10H6ClNO2S and a molecular weight of 239.68 g/mol. Its IUPAC name is 2-chloro-5-thiophen-2-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-5-thiophen-2-ylpyridine-3-carboxylic acid
PubChem CID53222494
Molecular FormulaC10H6ClNO2S
Molecular Weight239.68 g/mol
Exact Mass238.98
IUPAC Name2-chloro-5-thiophen-2-ylpyridine-3-carboxylic acid
SMILESO=C(O)c1cc(-c2cccs2)cnc1Cl
InChIInChI=1S/C10H6ClNO2S/c11-9-7(10(13)14)4-6(5-12-9)8-2-1-3-15-8/h1-5H,(H,13,14)
InChIKeyQBUUAZLCRBLZHK-UHFFFAOYSA-N
XLogP3.16
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3-methyl-5-thiophen-2-ylpyridine
CID 83814921
2-chloro-5-methyl-6-thiophen-2-ylpyridine-3-carboxylic acid
CID 82119973
2-amino-5-thiophen-2-ylbenzoic acid
CID 16768750
5-(4-bromophenyl)-2-chloropyridine-3-carboxylic acid
CID 117222130
2-fluoro-5-thiophen-2-ylbenzoic acid
CID 16768898
2-methyl-5-thiophen-2-ylbenzoic acid
CID 65309680
2-chloro-5-(3-methylphenyl)pyridine-3-carboxylic acid
CID 53222523
2-[[5-(3,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid;ethane
CID 167489803
2-chloro-5-phenyl-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 10448430
2-(carboxymethyl)-4-thiophen-2-ylbenzoic acid
CID 121004062
2-[[4-methyl-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-thiophen-2-ylpyridine-3-carboxylic acid
CID 171646447
2-chloro-5-(4-fluoro-3-methylphenyl)pyridine-3-carboxylic acid
CID 53222875

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-thiophen-2-ylpyridine-3-carboxylic acid?
The IUPAC name of 2-chloro-5-thiophen-2-ylpyridine-3-carboxylic acid (CID 53222494) is 2-chloro-5-thiophen-2-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-chloro-5-thiophen-2-ylpyridine-3-carboxylic acid?
The canonical SMILES for 2-chloro-5-thiophen-2-ylpyridine-3-carboxylic acid is O=C(O)c1cc(-c2cccs2)cnc1Cl.
What is the InChIKey of 2-chloro-5-thiophen-2-ylpyridine-3-carboxylic acid?
The InChIKey is QBUUAZLCRBLZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO2S/c11-9-7(10(13)14)4-6(5-12-9)8-2-1-3-15-8/h1-5H,(H,13,14).
What are the key properties of 2-chloro-5-thiophen-2-ylpyridine-3-carboxylic acid?
2-chloro-5-thiophen-2-ylpyridine-3-carboxylic acid has a molecular weight of 239.68 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-thiophen-2-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 53222494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).