6-chloro-4-(difluoromethyl)-2-fluoropyridine-3-carboxamide

C7H4ClF3N2O — CID 130072196

IUPAC6-chloro-4-(difluoromethyl)-2-fluoropyridine-3-carboxamide
SMILESNC(=O)c1c(C(F)F)cc(Cl)nc1F
InChIInChI=1S/C7H4ClF3N2O/c8-3-1-2(5(9)10)4(7(12)14)6(11)13-3/h1,5H,(H2,12,14)
InChIKeyOVTYGPONQKOXNY-UHFFFAOYSA-N
MW224.57 g/mol
LogP1.91
Rot. Bonds2

About 6-chloro-4-(difluoromethyl)-2-fluoropyridine-3-carboxamide

6-chloro-4-(difluoromethyl)-2-fluoropyridine-3-carboxamide (PubChem CID 130072196) has the molecular formula C7H4ClF3N2O and a molecular weight of 224.57 g/mol. Its IUPAC name is 6-chloro-4-(difluoromethyl)-2-fluoropyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-(difluoromethyl)-2-fluoropyridine-3-carboxamide
PubChem CID130072196
Molecular FormulaC7H4ClF3N2O
Molecular Weight224.57 g/mol
Exact Mass224.00
IUPAC Name6-chloro-4-(difluoromethyl)-2-fluoropyridine-3-carboxamide
SMILESNC(=O)c1c(C(F)F)cc(Cl)nc1F
InChIInChI=1S/C7H4ClF3N2O/c8-3-1-2(5(9)10)4(7(12)14)6(11)13-3/h1,5H,(H2,12,14)
InChIKeyOVTYGPONQKOXNY-UHFFFAOYSA-N
XLogP1.91
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.57
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-4-(difluoromethyl)-2-fluoropyridin-3-amine
CID 130102458
3,6-dichloro-4-(difluoromethyl)-2-fluoropyridine
CID 130099205
5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carboxamide
CID 130072214
6-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid
CID 130074368
2-bromo-4-(difluoromethyl)-6-fluoropyridine-3-carboxamide
CID 119010970
4-(difluoromethyl)-2-fluoro-6-iodopyridine-3-carbonyl chloride
CID 130080397
2-amino-6-bromo-4-(difluoromethyl)pyridine-3-carboxamide
CID 118999240
6-chloro-4-(difluoromethyl)-2-nitropyridine-3-carboxylic acid
CID 130074851
2-[6-chloro-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetonitrile
CID 130071857
5-(difluoromethyl)-3,6-difluoropyridine-2-carboxamide
CID 119003203
4-(difluoromethyl)-5,6-difluoropyridine-2-carboxamide
CID 119022721
6-chloro-4-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride
CID 130072799

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(difluoromethyl)-2-fluoropyridine-3-carboxamide?
The IUPAC name of 6-chloro-4-(difluoromethyl)-2-fluoropyridine-3-carboxamide (CID 130072196) is 6-chloro-4-(difluoromethyl)-2-fluoropyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-(difluoromethyl)-2-fluoropyridine-3-carboxamide?
The canonical SMILES for 6-chloro-4-(difluoromethyl)-2-fluoropyridine-3-carboxamide is NC(=O)c1c(C(F)F)cc(Cl)nc1F.
What is the InChIKey of 6-chloro-4-(difluoromethyl)-2-fluoropyridine-3-carboxamide?
The InChIKey is OVTYGPONQKOXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3N2O/c8-3-1-2(5(9)10)4(7(12)14)6(11)13-3/h1,5H,(H2,12,14).
What are the key properties of 6-chloro-4-(difluoromethyl)-2-fluoropyridine-3-carboxamide?
6-chloro-4-(difluoromethyl)-2-fluoropyridine-3-carboxamide has a molecular weight of 224.57 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(difluoromethyl)-2-fluoropyridine-3-carboxamide is sourced from PubChem (CID 130072196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).