5-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide

C7H5ClF2N2O2 — CID 130072941

IUPAC5-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1c[nH]c(=O)c(Cl)c1C(F)F
InChIInChI=1S/C7H5ClF2N2O2/c8-4-3(5(9)10)2(6(11)13)1-12-7(4)14/h1,5H,(H2,11,13)(H,12,14)
InChIKeyDGXBPJGZKZDPNZ-UHFFFAOYSA-N
MW222.58 g/mol
LogP1.06
Rot. Bonds2

About 5-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide

5-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 130072941) has the molecular formula C7H5ClF2N2O2 and a molecular weight of 222.58 g/mol. Its IUPAC name is 5-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID130072941
Molecular FormulaC7H5ClF2N2O2
Molecular Weight222.58 g/mol
Exact Mass222.00
IUPAC Name5-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1c[nH]c(=O)c(Cl)c1C(F)F
InChIInChI=1S/C7H5ClF2N2O2/c8-4-3(5(9)10)2(6(11)13)1-12-7(4)14/h1,5H,(H2,11,13)(H,12,14)
InChIKeyDGXBPJGZKZDPNZ-UHFFFAOYSA-N
XLogP1.06
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.58
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Chloro-5-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 725436
4-amino-3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one
CID 69883344
2-Hydroxy-3-chloro-4-methyl-5-trifluoromethylpyridine
CID 69883431
3-chloro-5-fluoro-2-oxo-1H-pyridine-4-carboxamide
CID 89449841
4-(Difluoromethyl)-2-hydroxypyridine-5-carboxamide
CID 118852080
6-Oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide
CID 130851852
6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride
CID 175766042
4-Amino-3-chloro-5-(difluoromethyl)pyridin-2-ol
CID 118810850
4-(Difluoromethyl)-6-hydroxy-5-methylnicotinamide
CID 118823905
4-(Aminomethyl)-3-chloro-5-(difluoromethyl)pyridin-2-ol
CID 118835539
4-Chloro-5-(difluoromethyl)-6-hydroxynicotinamide
CID 118850557
3-Chloro-5-(difluoromethyl)pyridin-2(1H)-one
CID 129319263

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide (CID 130072941) is 5-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide is NC(=O)c1c[nH]c(=O)c(Cl)c1C(F)F.
What is the InChIKey of 5-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is DGXBPJGZKZDPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2N2O2/c8-4-3(5(9)10)2(6(11)13)1-12-7(4)14/h1,5H,(H2,11,13)(H,12,14).
What are the key properties of 5-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide?
5-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 222.58 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 130072941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).