6-chloro-4-(difluoromethyl)-3-hydroxy-1H-pyridin-2-one

C6H4ClF2NO2 — CID 130099992

IUPAC6-chloro-4-(difluoromethyl)-3-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]c(Cl)cc(C(F)F)c1O
InChIInChI=1S/C6H4ClF2NO2/c7-3-1-2(5(8)9)4(11)6(12)10-3/h1,5,11H,(H,10,12)
InChIKeyRAHCXBJITRQFSA-UHFFFAOYSA-N
MW195.55 g/mol
LogP1.67
Rot. Bonds1

About 6-chloro-4-(difluoromethyl)-3-hydroxy-1H-pyridin-2-one

6-chloro-4-(difluoromethyl)-3-hydroxy-1H-pyridin-2-one (PubChem CID 130099992) has the molecular formula C6H4ClF2NO2 and a molecular weight of 195.55 g/mol. Its IUPAC name is 6-chloro-4-(difluoromethyl)-3-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name6-chloro-4-(difluoromethyl)-3-hydroxy-1H-pyridin-2-one
PubChem CID130099992
Molecular FormulaC6H4ClF2NO2
Molecular Weight195.55 g/mol
Exact Mass194.99
IUPAC Name6-chloro-4-(difluoromethyl)-3-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]c(Cl)cc(C(F)F)c1O
InChIInChI=1S/C6H4ClF2NO2/c7-3-1-2(5(8)9)4(11)6(12)10-3/h1,5,11H,(H,10,12)
InChIKeyRAHCXBJITRQFSA-UHFFFAOYSA-N
XLogP1.67
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.55
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonamide
CID 130072899
6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride
CID 130072851
6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carbaldehyde
CID 137203197
6-bromo-3-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one
CID 119013283
5-(difluoromethyl)-3,4-dihydroxy-1H-pyridin-2-one
CID 130088807
3-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxamide
CID 130072951
2-chloro-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
CID 119023480
6-chloro-3-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one
CID 118996890
5-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride
CID 130079742
3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride
CID 130072823
6-chloro-4-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride
CID 130072799
5-chloro-4-(difluoromethyl)-6-methyl-1H-pyridin-2-one
CID 130072325

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(difluoromethyl)-3-hydroxy-1H-pyridin-2-one?
The IUPAC name of 6-chloro-4-(difluoromethyl)-3-hydroxy-1H-pyridin-2-one (CID 130099992) is 6-chloro-4-(difluoromethyl)-3-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 6-chloro-4-(difluoromethyl)-3-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 6-chloro-4-(difluoromethyl)-3-hydroxy-1H-pyridin-2-one is O=c1[nH]c(Cl)cc(C(F)F)c1O.
What is the InChIKey of 6-chloro-4-(difluoromethyl)-3-hydroxy-1H-pyridin-2-one?
The InChIKey is RAHCXBJITRQFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF2NO2/c7-3-1-2(5(8)9)4(11)6(12)10-3/h1,5,11H,(H,10,12).
What are the key properties of 6-chloro-4-(difluoromethyl)-3-hydroxy-1H-pyridin-2-one?
6-chloro-4-(difluoromethyl)-3-hydroxy-1H-pyridin-2-one has a molecular weight of 195.55 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(difluoromethyl)-3-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 130099992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).