6-chloro-4-(difluoromethyl)-5-methylpyridine-2-carboxamide

C8H7ClF2N2O — CID 118990312

IUPAC6-chloro-4-(difluoromethyl)-5-methylpyridine-2-carboxamide
SMILESCc1c(C(F)F)cc(C(N)=O)nc1Cl
InChIInChI=1S/C8H7ClF2N2O/c1-3-4(7(10)11)2-5(8(12)14)13-6(3)9/h2,7H,1H3,(H2,12,14)
InChIKeyLJIYKPAGUOKDKK-UHFFFAOYSA-N
MW220.61 g/mol
LogP2.08
Rot. Bonds2

About 6-chloro-4-(difluoromethyl)-5-methylpyridine-2-carboxamide

6-chloro-4-(difluoromethyl)-5-methylpyridine-2-carboxamide (PubChem CID 118990312) has the molecular formula C8H7ClF2N2O and a molecular weight of 220.61 g/mol. Its IUPAC name is 6-chloro-4-(difluoromethyl)-5-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-4-(difluoromethyl)-5-methylpyridine-2-carboxamide
PubChem CID118990312
Molecular FormulaC8H7ClF2N2O
Molecular Weight220.61 g/mol
Exact Mass220.02
IUPAC Name6-chloro-4-(difluoromethyl)-5-methylpyridine-2-carboxamide
SMILESCc1c(C(F)F)cc(C(N)=O)nc1Cl
InChIInChI=1S/C8H7ClF2N2O/c1-3-4(7(10)11)2-5(8(12)14)13-6(3)9/h2,7H,1H3,(H2,12,14)
InChIKeyLJIYKPAGUOKDKK-UHFFFAOYSA-N
XLogP2.08
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.61
LogP ≤ 52.08
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

4-(difluoromethyl)-5-fluoro-6-methylpyridine-2-carboxamide
CID 118851932
2-[6-chloro-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetic acid
CID 118991959
5,6-diamino-4-(difluoromethyl)pyridine-2-carboxamide
CID 119003391
4-(difluoromethyl)-5,6-difluoropyridine-2-carboxamide
CID 119022721
2-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxamide
CID 119018698
4-(difluoromethyl)-5-hydroxy-6-iodopyridine-2-carboxamide
CID 118840847
4-(difluoromethyl)-6-fluoro-5-methylpyridine-2-carboxylic acid
CID 118846863
5-(difluoromethyl)-4,6-dimethylpyridine-2-carboxamide
CID 130101518
4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carboxamide
CID 118840796
6-cyano-4-(difluoromethyl)-5-fluoropyridine-2-carboxamide
CID 119024543
methyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-2-carboxylate
CID 134669578
4-chloro-6-(difluoromethyl)-5-fluoropyridine-2-carboxamide
CID 130072220

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(difluoromethyl)-5-methylpyridine-2-carboxamide?
The IUPAC name of 6-chloro-4-(difluoromethyl)-5-methylpyridine-2-carboxamide (CID 118990312) is 6-chloro-4-(difluoromethyl)-5-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-4-(difluoromethyl)-5-methylpyridine-2-carboxamide?
The canonical SMILES for 6-chloro-4-(difluoromethyl)-5-methylpyridine-2-carboxamide is Cc1c(C(F)F)cc(C(N)=O)nc1Cl.
What is the InChIKey of 6-chloro-4-(difluoromethyl)-5-methylpyridine-2-carboxamide?
The InChIKey is LJIYKPAGUOKDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N2O/c1-3-4(7(10)11)2-5(8(12)14)13-6(3)9/h2,7H,1H3,(H2,12,14).
What are the key properties of 6-chloro-4-(difluoromethyl)-5-methylpyridine-2-carboxamide?
6-chloro-4-(difluoromethyl)-5-methylpyridine-2-carboxamide has a molecular weight of 220.61 g/mol, XLogP of 2.08, 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)-5-methylpyridine-2-carboxamide is sourced from PubChem (CID 118990312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).