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

C7H4ClF3N2O — CID 130072218

IUPAC5-chloro-3-(difluoromethyl)-2-fluoropyridine-4-carboxamide
SMILESNC(=O)c1c(Cl)cnc(F)c1C(F)F
InChIInChI=1S/C7H4ClF3N2O/c8-2-1-13-6(11)4(5(9)10)3(2)7(12)14/h1,5H,(H2,12,14)
InChIKeyBDZSVFFXDHVGEX-UHFFFAOYSA-N
MW224.57 g/mol
LogP1.91
Rot. Bonds2

About 5-chloro-3-(difluoromethyl)-2-fluoropyridine-4-carboxamide

5-chloro-3-(difluoromethyl)-2-fluoropyridine-4-carboxamide (PubChem CID 130072218) has the molecular formula C7H4ClF3N2O and a molecular weight of 224.57 g/mol. Its IUPAC name is 5-chloro-3-(difluoromethyl)-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-3-(difluoromethyl)-2-fluoropyridine-4-carboxamide
PubChem CID130072218
Molecular FormulaC7H4ClF3N2O
Molecular Weight224.57 g/mol
Exact Mass224.00
IUPAC Name5-chloro-3-(difluoromethyl)-2-fluoropyridine-4-carboxamide
SMILESNC(=O)c1c(Cl)cnc(F)c1C(F)F
InChIInChI=1S/C7H4ClF3N2O/c8-2-1-13-6(11)4(5(9)10)3(2)7(12)14/h1,5H,(H2,12,14)
InChIKeyBDZSVFFXDHVGEX-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

2-amino-5-chloro-3-(difluoromethyl)pyridine-4-carboxamide
CID 119014359
methyl 5-chloro-3-(difluoromethyl)-2-fluoropyridine-4-carboxylate
CID 134685177
4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxamide
CID 118833693
5-chloro-3-(difluoromethyl)-2-fluoro-4-iodopyridine
CID 130071565
4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
CID 118839306
3-amino-5-chloro-4-(difluoromethyl)pyridine-2-carboxamide
CID 130103158
[5-chloro-3-(difluoromethyl)-2-fluoro-4-pyridinyl]methanamine
CID 130071715
5-amino-4-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride
CID 130104371
3-(difluoromethyl)-2-fluoro-5-methoxypyridine-4-carbonyl chloride
CID 133105178
5-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid
CID 130074385
4,5-dichloro-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130099404
3-(difluoromethyl)-2-fluoropyridine-4-carboxamide
CID 130096554

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(difluoromethyl)-2-fluoropyridine-4-carboxamide?
The IUPAC name of 5-chloro-3-(difluoromethyl)-2-fluoropyridine-4-carboxamide (CID 130072218) is 5-chloro-3-(difluoromethyl)-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-3-(difluoromethyl)-2-fluoropyridine-4-carboxamide?
The canonical SMILES for 5-chloro-3-(difluoromethyl)-2-fluoropyridine-4-carboxamide is NC(=O)c1c(Cl)cnc(F)c1C(F)F.
What is the InChIKey of 5-chloro-3-(difluoromethyl)-2-fluoropyridine-4-carboxamide?
The InChIKey is BDZSVFFXDHVGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3N2O/c8-2-1-13-6(11)4(5(9)10)3(2)7(12)14/h1,5H,(H2,12,14).
What are the key properties of 5-chloro-3-(difluoromethyl)-2-fluoropyridine-4-carboxamide?
5-chloro-3-(difluoromethyl)-2-fluoropyridine-4-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 5-chloro-3-(difluoromethyl)-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 130072218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).