2-(chloromethyl)-6-thiophen-2-ylpyridine-3-carboxylic acid

C11H8ClNO2S — CID 141450191

IUPAC2-(chloromethyl)-6-thiophen-2-ylpyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccs2)nc1CCl
InChIInChI=1S/C11H8ClNO2S/c12-6-9-7(11(14)15)3-4-8(13-9)10-2-1-5-16-10/h1-5H,6H2,(H,14,15)
InChIKeyGRPCTGVMHADKLJ-UHFFFAOYSA-N
MW253.71 g/mol
LogP3.25
Rot. Bonds3

About 2-(chloromethyl)-6-thiophen-2-ylpyridine-3-carboxylic acid

2-(chloromethyl)-6-thiophen-2-ylpyridine-3-carboxylic acid (PubChem CID 141450191) has the molecular formula C11H8ClNO2S and a molecular weight of 253.71 g/mol. Its IUPAC name is 2-(chloromethyl)-6-thiophen-2-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(chloromethyl)-6-thiophen-2-ylpyridine-3-carboxylic acid
PubChem CID141450191
Molecular FormulaC11H8ClNO2S
Molecular Weight253.71 g/mol
Exact Mass253.00
IUPAC Name2-(chloromethyl)-6-thiophen-2-ylpyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccs2)nc1CCl
InChIInChI=1S/C11H8ClNO2S/c12-6-9-7(11(14)15)3-4-8(13-9)10-2-1-5-16-10/h1-5H,6H2,(H,14,15)
InChIKeyGRPCTGVMHADKLJ-UHFFFAOYSA-N
XLogP3.25
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-methylsulfanyl-6-thiophen-2-ylpyridine-3-carboxylic acid
CID 82119497
2-(chloromethyl)-6-(2-thiophen-2-ylethyl)pyridine-3-carboxylic acid
CID 174794822
1-(2-methyl-6-thiophen-2-yl-3-pyridinyl)ethanone
CID 66490371
6-thiophen-2-ylpyridine-3-carboxylic acid
CID 15411144
6-chloro-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 625807
5,8-dichloro-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 106988454
N-benzyl-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide
CID 39428057
2-ethyl-6-(1,3-thiazol-2-yl)pyridine-3-carboxylic acid
CID 116533031
2-[ethyl-(2-methyl-6-thiophen-2-ylpyridine-3-carbonyl)amino]acetic acid
CID 120519701
6-ethyl-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 860396
N,2-dimethyl-N-phenyl-6-thiophen-2-ylpyridine-3-carboxamide
CID 39428121
6-iodo-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 1016749

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-thiophen-2-ylpyridine-3-carboxylic acid?
The IUPAC name of 2-(chloromethyl)-6-thiophen-2-ylpyridine-3-carboxylic acid (CID 141450191) is 2-(chloromethyl)-6-thiophen-2-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(chloromethyl)-6-thiophen-2-ylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(chloromethyl)-6-thiophen-2-ylpyridine-3-carboxylic acid is O=C(O)c1ccc(-c2cccs2)nc1CCl.
What is the InChIKey of 2-(chloromethyl)-6-thiophen-2-ylpyridine-3-carboxylic acid?
The InChIKey is GRPCTGVMHADKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO2S/c12-6-9-7(11(14)15)3-4-8(13-9)10-2-1-5-16-10/h1-5H,6H2,(H,14,15).
What are the key properties of 2-(chloromethyl)-6-thiophen-2-ylpyridine-3-carboxylic acid?
2-(chloromethyl)-6-thiophen-2-ylpyridine-3-carboxylic acid has a molecular weight of 253.71 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-thiophen-2-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 141450191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).