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

C12H9ClN2O3S — CID 113258936

IUPAC5-[(2-chloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)c2cccnc2Cl)sc1C(=O)O
InChIInChI=1S/C12H9ClN2O3S/c1-6-5-8(19-9(6)12(17)18)15-11(16)7-3-2-4-14-10(7)13/h2-5H,1H3,(H,15,16)(H,17,18)
InChIKeyIIRLKYAGARCOKR-UHFFFAOYSA-N
MW296.74 g/mol
LogP3.06
Rot. Bonds3

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

5-[(2-chloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid (PubChem CID 113258936) has the molecular formula C12H9ClN2O3S and a molecular weight of 296.74 g/mol. Its IUPAC name is 5-[(2-chloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-chloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
PubChem CID113258936
Molecular FormulaC12H9ClN2O3S
Molecular Weight296.74 g/mol
Exact Mass296.00
IUPAC Name5-[(2-chloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)c2cccnc2Cl)sc1C(=O)O
InChIInChI=1S/C12H9ClN2O3S/c1-6-5-8(19-9(6)12(17)18)15-11(16)7-3-2-4-14-10(7)13/h2-5H,1H3,(H,15,16)(H,17,18)
InChIKeyIIRLKYAGARCOKR-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-[(2-chloro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 106860463
5-[(2,6-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 28550112
5-[(2-bromo-4-chlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 107986401
5-[(5,6-dichloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
CID 43356628
2-[(2-chloropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 114036719
3-methyl-5-(thiadiazole-4-carbonylamino)thiophene-2-carboxylic acid
CID 65214815
5-[(2,5-difluorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 24701855
3-methyl-5-[(1-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylic acid
CID 103116399
2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 9097781
4-chloro-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid
CID 45436123
5-[(3-chloro-4-methylphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid
CID 43515062
5-[(3-hydroxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 16778237

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(2-chloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid (CID 113258936) is 5-[(2-chloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2-chloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2-chloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid is Cc1cc(NC(=O)c2cccnc2Cl)sc1C(=O)O.
What is the InChIKey of 5-[(2-chloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid?
The InChIKey is IIRLKYAGARCOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O3S/c1-6-5-8(19-9(6)12(17)18)15-11(16)7-3-2-4-14-10(7)13/h2-5H,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-[(2-chloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid?
5-[(2-chloropyridine-3-carbonyl)amino]-3-methylthiophene-2-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 5-[(2-chloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 113258936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).