6-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyridine-3-carbonyl chloride

C14H7ClF4N2O2 — CID 22099637

IUPAC6-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1ccc(NC(=O)c2ccc(F)cc2C(F)(F)F)nc1
InChIInChI=1S/C14H7ClF4N2O2/c15-12(22)7-1-4-11(20-6-7)21-13(23)9-3-2-8(16)5-10(9)14(17,18)19/h1-6H,(H,20,21,23)
InChIKeyDWWQAWLKWZKGGE-UHFFFAOYSA-N
MW346.67 g/mol
LogP3.87
Rot. Bonds3

About 6-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyridine-3-carbonyl chloride

6-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyridine-3-carbonyl chloride (PubChem CID 22099637) has the molecular formula C14H7ClF4N2O2 and a molecular weight of 346.67 g/mol. Its IUPAC name is 6-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name6-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyridine-3-carbonyl chloride
PubChem CID22099637
Molecular FormulaC14H7ClF4N2O2
Molecular Weight346.67 g/mol
Exact Mass346.01
IUPAC Name6-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1ccc(NC(=O)c2ccc(F)cc2C(F)(F)F)nc1
InChIInChI=1S/C14H7ClF4N2O2/c15-12(22)7-1-4-11(20-6-7)21-13(23)9-3-2-8(16)5-10(9)14(17,18)19/h1-6H,(H,20,21,23)
InChIKeyDWWQAWLKWZKGGE-UHFFFAOYSA-N
XLogP3.87
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.67
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

6-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid
CID 22099714
6-[(2,4-difluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 22099949
6-[(2,5-difluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61317560
6-[(5-fluoro-2-hydroxybenzoyl)amino]pyridine-3-carboxylic acid
CID 115298481
N-(5-acetyl-2-pyridinyl)-2-(trifluoromethyl)benzamide
CID 84591908
N-(5-chloro-2-pyridinyl)-4-fluoro-2-methylbenzamide
CID 112702466
6-[(3-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61318981
6-[[3-chloro-4-methoxy-5-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid
CID 67041574
6-[(5-chloro-2-methoxybenzoyl)amino]pyridine-3-carbonyl chloride
CID 174302752
4-Fluoro-2-(trifluoromethyl)benzoic acid, sodium salt
CID 178187701
ethyl 3-chloro-4-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]benzoate
CID 56617072
N-(5-fluoro-2-pyridinyl)-6-(methylamino)pyridine-3-carboxamide
CID 65482281

Frequently Asked Questions

What is the IUPAC name of 6-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyridine-3-carbonyl chloride?
The IUPAC name of 6-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyridine-3-carbonyl chloride (CID 22099637) is 6-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyridine-3-carbonyl chloride.
What is the SMILES notation for 6-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyridine-3-carbonyl chloride?
The canonical SMILES for 6-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyridine-3-carbonyl chloride is O=C(Cl)c1ccc(NC(=O)c2ccc(F)cc2C(F)(F)F)nc1.
What is the InChIKey of 6-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyridine-3-carbonyl chloride?
The InChIKey is DWWQAWLKWZKGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF4N2O2/c15-12(22)7-1-4-11(20-6-7)21-13(23)9-3-2-8(16)5-10(9)14(17,18)19/h1-6H,(H,20,21,23).
What are the key properties of 6-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyridine-3-carbonyl chloride?
6-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyridine-3-carbonyl chloride has a molecular weight of 346.67 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyridine-3-carbonyl chloride is sourced from PubChem (CID 22099637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).