2-(6-chloro-3-pyridinyl)-4-[(3-fluorobenzoyl)amino]thiophene-3-carboxylic acid

C17H10ClFN2O3S — CID 88966042

IUPAC2-(6-chloro-3-pyridinyl)-4-[(3-fluorobenzoyl)amino]thiophene-3-carboxylic acid
SMILESO=C(Nc1csc(-c2ccc(Cl)nc2)c1C(=O)O)c1cccc(F)c1
InChIInChI=1S/C17H10ClFN2O3S/c18-13-5-4-10(7-20-13)15-14(17(23)24)12(8-25-15)21-16(22)9-2-1-3-11(19)6-9/h1-8H,(H,21,22)(H,23,24)
InChIKeyNOTIKNVUYSWQNO-UHFFFAOYSA-N
MW376.80 g/mol
LogP4.55
Rot. Bonds4

About 2-(6-chloro-3-pyridinyl)-4-[(3-fluorobenzoyl)amino]thiophene-3-carboxylic acid

2-(6-chloro-3-pyridinyl)-4-[(3-fluorobenzoyl)amino]thiophene-3-carboxylic acid (PubChem CID 88966042) has the molecular formula C17H10ClFN2O3S and a molecular weight of 376.80 g/mol. Its IUPAC name is 2-(6-chloro-3-pyridinyl)-4-[(3-fluorobenzoyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(6-chloro-3-pyridinyl)-4-[(3-fluorobenzoyl)amino]thiophene-3-carboxylic acid
PubChem CID88966042
Molecular FormulaC17H10ClFN2O3S
Molecular Weight376.80 g/mol
Exact Mass376.01
IUPAC Name2-(6-chloro-3-pyridinyl)-4-[(3-fluorobenzoyl)amino]thiophene-3-carboxylic acid
SMILESO=C(Nc1csc(-c2ccc(Cl)nc2)c1C(=O)O)c1cccc(F)c1
InChIInChI=1S/C17H10ClFN2O3S/c18-13-5-4-10(7-20-13)15-14(17(23)24)12(8-25-15)21-16(22)9-2-1-3-11(19)6-9/h1-8H,(H,21,22)(H,23,24)
InChIKeyNOTIKNVUYSWQNO-UHFFFAOYSA-N
XLogP4.55
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 54.55
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

2-(6-chloro-3-pyridinyl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 58191464
2-(4-chlorophenyl)-4-[(4-fluorobenzoyl)amino]thiophene-3-carboxylic acid
CID 67052256
2-(3-chlorophenyl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 67052318
4-(3-chlorophenyl)-2-[(3-fluorobenzoyl)amino]thiophene-3-carboxylic acid
CID 25225583
ethane;2-[(3-fluorobenzoyl)amino]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid
CID 143950072
2-[(3-fluorobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid
CID 25225584
4-[(4-fluorobenzoyl)amino]-2-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid
CID 67052333
4-[(4-bromobenzoyl)amino]-2-(3-chlorophenyl)thiophene-3-carboxylic acid
CID 67052311
2-(4-chlorophenyl)-4-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 58191544
4-(2,4-dichlorophenyl)-2-[(3-fluorobenzoyl)amino]thiophene-3-carboxylic acid
CID 25225581
4-(4-ethylphenyl)-2-[(3-fluorobenzoyl)amino]thiophene-3-carboxylic acid
CID 28859866
N-(5-chloropyrimidin-2-yl)-3-fluorobenzamide
CID 54265719

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-pyridinyl)-4-[(3-fluorobenzoyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-(6-chloro-3-pyridinyl)-4-[(3-fluorobenzoyl)amino]thiophene-3-carboxylic acid (CID 88966042) is 2-(6-chloro-3-pyridinyl)-4-[(3-fluorobenzoyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(6-chloro-3-pyridinyl)-4-[(3-fluorobenzoyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-(6-chloro-3-pyridinyl)-4-[(3-fluorobenzoyl)amino]thiophene-3-carboxylic acid is O=C(Nc1csc(-c2ccc(Cl)nc2)c1C(=O)O)c1cccc(F)c1.
What is the InChIKey of 2-(6-chloro-3-pyridinyl)-4-[(3-fluorobenzoyl)amino]thiophene-3-carboxylic acid?
The InChIKey is NOTIKNVUYSWQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFN2O3S/c18-13-5-4-10(7-20-13)15-14(17(23)24)12(8-25-15)21-16(22)9-2-1-3-11(19)6-9/h1-8H,(H,21,22)(H,23,24).
What are the key properties of 2-(6-chloro-3-pyridinyl)-4-[(3-fluorobenzoyl)amino]thiophene-3-carboxylic acid?
2-(6-chloro-3-pyridinyl)-4-[(3-fluorobenzoyl)amino]thiophene-3-carboxylic acid has a molecular weight of 376.80 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-pyridinyl)-4-[(3-fluorobenzoyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 88966042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).