2-[(6-chloropyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylic acid

C12H9ClN2O3S — CID 55249925

IUPAC2-[(6-chloropyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)c2cccc(Cl)n2)s1
InChIInChI=1S/C12H9ClN2O3S/c1-6-5-7(12(17)18)11(19-6)15-10(16)8-3-2-4-9(13)14-8/h2-5H,1H3,(H,15,16)(H,17,18)
InChIKeyMVUCHYGEDFNNLD-UHFFFAOYSA-N
MW296.74 g/mol
LogP3.06
Rot. Bonds3

About 2-[(6-chloropyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylic acid

2-[(6-chloropyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylic acid (PubChem CID 55249925) has the molecular formula C12H9ClN2O3S and a molecular weight of 296.74 g/mol. Its IUPAC name is 2-[(6-chloropyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(6-chloropyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylic acid
PubChem CID55249925
Molecular FormulaC12H9ClN2O3S
Molecular Weight296.74 g/mol
Exact Mass296.00
IUPAC Name2-[(6-chloropyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)c2cccc(Cl)n2)s1
InChIInChI=1S/C12H9ClN2O3S/c1-6-5-7(12(17)18)11(19-6)15-10(16)8-3-2-4-9(13)14-8/h2-5H,1H3,(H,15,16)(H,17,18)
InChIKeyMVUCHYGEDFNNLD-UHFFFAOYSA-N
XLogP3.06
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.74
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylic acid
CID 63614852
2-[(2,6-dihydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 107688003
2-[(2-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 55247796
2-[(2-chloro-5-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 106500286
2-[(2,4-dichlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63615045
2-[(4-chloro-2-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63615501
5-methyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid
CID 28858736
2-[(2-bromo-4-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 107986673
6-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 115599468
3,5-dichloro-4-[(6-chloropyridine-2-carbonyl)amino]benzoic acid
CID 82812539
6-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 24903389
2-(methoxycarbonylamino)-5-methylthiophene-3-carboxylic acid
CID 63617172

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloropyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylic acid?
The IUPAC name of 2-[(6-chloropyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylic acid (CID 55249925) is 2-[(6-chloropyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(6-chloropyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylic acid?
The canonical SMILES for 2-[(6-chloropyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylic acid is Cc1cc(C(=O)O)c(NC(=O)c2cccc(Cl)n2)s1.
What is the InChIKey of 2-[(6-chloropyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylic acid?
The InChIKey is MVUCHYGEDFNNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O3S/c1-6-5-7(12(17)18)11(19-6)15-10(16)8-3-2-4-9(13)14-8/h2-5H,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(6-chloropyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylic acid?
2-[(6-chloropyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylic acid has a molecular weight of 296.74 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloropyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylic acid is sourced from PubChem (CID 55249925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).