2-chloro-6-(difluoromethyl)-5-fluoropyridine-3-carboxamide

C7H4ClF3N2O — CID 119016340

IUPAC2-chloro-6-(difluoromethyl)-5-fluoropyridine-3-carboxamide
SMILESNC(=O)c1cc(F)c(C(F)F)nc1Cl
InChIInChI=1S/C7H4ClF3N2O/c8-5-2(7(12)14)1-3(9)4(13-5)6(10)11/h1,6H,(H2,12,14)
InChIKeyYHBYIHTWOQZRCJ-UHFFFAOYSA-N
MW224.57 g/mol
LogP1.91
Rot. Bonds2

About 2-chloro-6-(difluoromethyl)-5-fluoropyridine-3-carboxamide

2-chloro-6-(difluoromethyl)-5-fluoropyridine-3-carboxamide (PubChem CID 119016340) has the molecular formula C7H4ClF3N2O and a molecular weight of 224.57 g/mol. Its IUPAC name is 2-chloro-6-(difluoromethyl)-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-6-(difluoromethyl)-5-fluoropyridine-3-carboxamide
PubChem CID119016340
Molecular FormulaC7H4ClF3N2O
Molecular Weight224.57 g/mol
Exact Mass224.00
IUPAC Name2-chloro-6-(difluoromethyl)-5-fluoropyridine-3-carboxamide
SMILESNC(=O)c1cc(F)c(C(F)F)nc1Cl
InChIInChI=1S/C7H4ClF3N2O/c8-5-2(7(12)14)1-3(9)4(13-5)6(10)11/h1,6H,(H2,12,14)
InChIKeyYHBYIHTWOQZRCJ-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-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxamide
CID 119018698
3-chloro-6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid
CID 130072000
2-bromo-6-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
CID 130109869
6-amino-2-(difluoromethyl)-3-hydroxypyridine-4-carboxamide
CID 130105130
2-[6-chloro-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetic acid
CID 119004828
6-(difluoromethyl)-5-fluoro-3-hydroxypyridine-2-carbonyl chloride
CID 118820960
4-chloro-6-(difluoromethyl)-5-fluoropyridine-2-carboxamide
CID 130072220
2-(difluoromethyl)-3-hydroxy-6-iodopyridine-4-carboxamide
CID 118837184
6-(difluoromethyl)-2-fluoro-5-methylpyridine-3-carboxamide
CID 118814860
2-chloro-5-(chloromethyl)-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 118996818
2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid
CID 130081939
5,6-diamino-2-(difluoromethyl)pyridine-3-carboxamide
CID 119003054

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(difluoromethyl)-5-fluoropyridine-3-carboxamide?
The IUPAC name of 2-chloro-6-(difluoromethyl)-5-fluoropyridine-3-carboxamide (CID 119016340) is 2-chloro-6-(difluoromethyl)-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-6-(difluoromethyl)-5-fluoropyridine-3-carboxamide?
The canonical SMILES for 2-chloro-6-(difluoromethyl)-5-fluoropyridine-3-carboxamide is NC(=O)c1cc(F)c(C(F)F)nc1Cl.
What is the InChIKey of 2-chloro-6-(difluoromethyl)-5-fluoropyridine-3-carboxamide?
The InChIKey is YHBYIHTWOQZRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3N2O/c8-5-2(7(12)14)1-3(9)4(13-5)6(10)11/h1,6H,(H2,12,14).
What are the key properties of 2-chloro-6-(difluoromethyl)-5-fluoropyridine-3-carboxamide?
2-chloro-6-(difluoromethyl)-5-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 2-chloro-6-(difluoromethyl)-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 119016340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).