3-chloro-1-(difluoromethyl)-5-nitropyridin-2-one

C6H3ClF2N2O3 — CID 156539728

IUPAC3-chloro-1-(difluoromethyl)-5-nitropyridin-2-one
SMILESO=c1c(Cl)cc([N+](=O)[O-])cn1C(F)F
InChIInChI=1S/C6H3ClF2N2O3/c7-4-1-3(11(13)14)2-10(5(4)12)6(8)9/h1-2,6H
InChIKeyCHSXSKCORMMBAW-UHFFFAOYSA-N
MW224.55 g/mol
LogP1.80
Rot. Bonds2

About 3-chloro-1-(difluoromethyl)-5-nitropyridin-2-one

3-chloro-1-(difluoromethyl)-5-nitropyridin-2-one (PubChem CID 156539728) has the molecular formula C6H3ClF2N2O3 and a molecular weight of 224.55 g/mol. Its IUPAC name is 3-chloro-1-(difluoromethyl)-5-nitropyridin-2-one.

Molecular Properties

Compound Name3-chloro-1-(difluoromethyl)-5-nitropyridin-2-one
PubChem CID156539728
Molecular FormulaC6H3ClF2N2O3
Molecular Weight224.55 g/mol
Exact Mass223.98
IUPAC Name3-chloro-1-(difluoromethyl)-5-nitropyridin-2-one
SMILESO=c1c(Cl)cc([N+](=O)[O-])cn1C(F)F
InChIInChI=1S/C6H3ClF2N2O3/c7-4-1-3(11(13)14)2-10(5(4)12)6(8)9/h1-2,6H
InChIKeyCHSXSKCORMMBAW-UHFFFAOYSA-N
XLogP1.80
TPSA65.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.55
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-chloro-1-(difluoromethyl)-5-nitropyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-nitroaniline
CID 133276568
sodium 2,6-dichloro-4-nitrophenolate
CID 12589660
3-methyl-5-nitro-1-(3-oxobutan-2-yl)pyridin-2-one
CID 84570624
2,6-dichloro-4-nitroaniline;molecular chlorine
CID 20849384
3-chloro-1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-5-nitropyridin-2-one
CID 71875208
5-(2,6-dichloro-4-nitrophenoxy)-1-methyl-3-propan-2-ylpyridin-2-one
CID 164765740
2-chloro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-nitrobenzene
CID 11515363
1-chloro-2-fluoro-3-methyl-5-nitrobenzene
CID 86042359
1-[(2,6-dichlorophenyl)methyl]-3-methyl-5-nitropyridin-2-one
CID 84570353
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)propanamide
CID 78487298
1-(2-chloro-4-nitrophenyl)pyrrole-2,5-dione
CID 4120945
2-chloro-1-(dimethoxymethyl)-4-nitrobenzene
CID 163821050

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(difluoromethyl)-5-nitropyridin-2-one?
The IUPAC name of 3-chloro-1-(difluoromethyl)-5-nitropyridin-2-one (CID 156539728) is 3-chloro-1-(difluoromethyl)-5-nitropyridin-2-one.
What is the SMILES notation for 3-chloro-1-(difluoromethyl)-5-nitropyridin-2-one?
The canonical SMILES for 3-chloro-1-(difluoromethyl)-5-nitropyridin-2-one is O=c1c(Cl)cc([N+](=O)[O-])cn1C(F)F.
What is the InChIKey of 3-chloro-1-(difluoromethyl)-5-nitropyridin-2-one?
The InChIKey is CHSXSKCORMMBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF2N2O3/c7-4-1-3(11(13)14)2-10(5(4)12)6(8)9/h1-2,6H.
What are the key properties of 3-chloro-1-(difluoromethyl)-5-nitropyridin-2-one?
3-chloro-1-(difluoromethyl)-5-nitropyridin-2-one has a molecular weight of 224.55 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(difluoromethyl)-5-nitropyridin-2-one is sourced from PubChem (CID 156539728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).