2-chloro-5-methyl-6-thiophen-2-ylpyridine-3-carboxylic acid

C11H8ClNO2S — CID 82119973

IUPAC2-chloro-5-methyl-6-thiophen-2-ylpyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(Cl)nc1-c1cccs1
InChIInChI=1S/C11H8ClNO2S/c1-6-5-7(11(14)15)10(12)13-9(6)8-3-2-4-16-8/h2-5H,1H3,(H,14,15)
InChIKeyPHOCDMWJJAGNIV-UHFFFAOYSA-N
MW253.71 g/mol
LogP3.47
Rot. Bonds2

About 2-chloro-5-methyl-6-thiophen-2-ylpyridine-3-carboxylic acid

2-chloro-5-methyl-6-thiophen-2-ylpyridine-3-carboxylic acid (PubChem CID 82119973) has the molecular formula C11H8ClNO2S and a molecular weight of 253.71 g/mol. Its IUPAC name is 2-chloro-5-methyl-6-thiophen-2-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-5-methyl-6-thiophen-2-ylpyridine-3-carboxylic acid
PubChem CID82119973
Molecular FormulaC11H8ClNO2S
Molecular Weight253.71 g/mol
Exact Mass253.00
IUPAC Name2-chloro-5-methyl-6-thiophen-2-ylpyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(Cl)nc1-c1cccs1
InChIInChI=1S/C11H8ClNO2S/c1-6-5-7(11(14)15)10(12)13-9(6)8-3-2-4-16-8/h2-5H,1H3,(H,14,15)
InChIKeyPHOCDMWJJAGNIV-UHFFFAOYSA-N
XLogP3.47
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 53.47
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-5-methyl-6-(4-methylphenyl)pyridine-3-carboxylic acid
CID 82121831
2-chloro-5-thiophen-2-ylpyridine-3-carboxylic acid
CID 53222494
4-methyl-6-thiophen-2-ylbenzene-1,3-dicarboxylic acid
CID 150937146
2-methyl-5-thiophen-2-ylbenzoic acid
CID 65309680
2,3,5-trichloro-6-thiophen-2-ylpyridine
CID 102752496
2,4-dimethyl-6-thiophen-2-ylpyrimidine-5-carboxylic acid
CID 82290615
6-chloro-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 625807
3,5,7-trimethyl-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 63463303
5,8-dichloro-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 106988454
1-(4-chlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
CID 43324242
4,6-dimethyl-2-thiophen-2-ylpyrimidine-5-carboxylic acid
CID 62744538
1-(2,4-dichlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
CID 43324453

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-6-thiophen-2-ylpyridine-3-carboxylic acid?
The IUPAC name of 2-chloro-5-methyl-6-thiophen-2-ylpyridine-3-carboxylic acid (CID 82119973) is 2-chloro-5-methyl-6-thiophen-2-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-chloro-5-methyl-6-thiophen-2-ylpyridine-3-carboxylic acid?
The canonical SMILES for 2-chloro-5-methyl-6-thiophen-2-ylpyridine-3-carboxylic acid is Cc1cc(C(=O)O)c(Cl)nc1-c1cccs1.
What is the InChIKey of 2-chloro-5-methyl-6-thiophen-2-ylpyridine-3-carboxylic acid?
The InChIKey is PHOCDMWJJAGNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO2S/c1-6-5-7(11(14)15)10(12)13-9(6)8-3-2-4-16-8/h2-5H,1H3,(H,14,15).
What are the key properties of 2-chloro-5-methyl-6-thiophen-2-ylpyridine-3-carboxylic acid?
2-chloro-5-methyl-6-thiophen-2-ylpyridine-3-carboxylic acid has a molecular weight of 253.71 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-6-thiophen-2-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 82119973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).