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

C12H8Cl2N2O3S — CID 43356628

IUPAC5-[(5,6-dichloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)c2cnc(Cl)c(Cl)c2)sc1C(=O)O
InChIInChI=1S/C12H8Cl2N2O3S/c1-5-2-8(20-9(5)12(18)19)16-11(17)6-3-7(13)10(14)15-4-6/h2-4H,1H3,(H,16,17)(H,18,19)
InChIKeyCHGMFJLODCGCAT-UHFFFAOYSA-N
MW331.18 g/mol
LogP3.71
Rot. Bonds3

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

5-[(5,6-dichloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid (PubChem CID 43356628) has the molecular formula C12H8Cl2N2O3S and a molecular weight of 331.18 g/mol. Its IUPAC name is 5-[(5,6-dichloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5,6-dichloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
PubChem CID43356628
Molecular FormulaC12H8Cl2N2O3S
Molecular Weight331.18 g/mol
Exact Mass329.96
IUPAC Name5-[(5,6-dichloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)c2cnc(Cl)c(Cl)c2)sc1C(=O)O
InChIInChI=1S/C12H8Cl2N2O3S/c1-5-2-8(20-9(5)12(18)19)16-11(17)6-3-7(13)10(14)15-4-6/h2-4H,1H3,(H,16,17)(H,18,19)
InChIKeyCHGMFJLODCGCAT-UHFFFAOYSA-N
XLogP3.71
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.18
LogP ≤ 53.71
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

3-methyl-5-[(3,4,5-trifluorobenzoyl)amino]thiophene-2-carboxylic acid
CID 63183797
5-[(2-chloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
CID 113258936
5-[(2,6-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 28550112
5,6-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 4848107
3-methyl-5-(thiadiazole-4-carbonylamino)thiophene-2-carboxylic acid
CID 65214815
5-[(2-chloro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 106860463
3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid
CID 16771575
5-[(3-hydroxy-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 16771317
3-methyl-5-[(1-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylic acid
CID 103116399
5-[(3-hydroxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 16778237
5,6-dichloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-3-carboxamide
CID 106834615
3-methyl-5-[(4-methylsulfonylbenzoyl)amino]thiophene-2-carboxylic acid
CID 16771048

Frequently Asked Questions

What is the IUPAC name of 5-[(5,6-dichloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(5,6-dichloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid (CID 43356628) is 5-[(5,6-dichloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(5,6-dichloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(5,6-dichloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid is Cc1cc(NC(=O)c2cnc(Cl)c(Cl)c2)sc1C(=O)O.
What is the InChIKey of 5-[(5,6-dichloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid?
The InChIKey is CHGMFJLODCGCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O3S/c1-5-2-8(20-9(5)12(18)19)16-11(17)6-3-7(13)10(14)15-4-6/h2-4H,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[(5,6-dichloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid?
5-[(5,6-dichloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid has a molecular weight of 331.18 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5,6-dichloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 43356628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).