3-chloro-4-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one

C6H4ClF2NO2 — CID 130100000

IUPAC3-chloro-4-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]cc(O)c(C(F)F)c1Cl
InChIInChI=1S/C6H4ClF2NO2/c7-4-3(5(8)9)2(11)1-10-6(4)12/h1,5,11H,(H,10,12)
InChIKeyTYRRUSLKVYSUAA-UHFFFAOYSA-N
MW195.55 g/mol
LogP1.67
Rot. Bonds1

About 3-chloro-4-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one

3-chloro-4-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one (PubChem CID 130100000) has the molecular formula C6H4ClF2NO2 and a molecular weight of 195.55 g/mol. Its IUPAC name is 3-chloro-4-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-4-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one
PubChem CID130100000
Molecular FormulaC6H4ClF2NO2
Molecular Weight195.55 g/mol
Exact Mass194.99
IUPAC Name3-chloro-4-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]cc(O)c(C(F)F)c1Cl
InChIInChI=1S/C6H4ClF2NO2/c7-4-3(5(8)9)2(11)1-10-6(4)12/h1,5,11H,(H,10,12)
InChIKeyTYRRUSLKVYSUAA-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

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Related Compounds

5-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride
CID 130072819
3-(difluoromethyl)-5-hydroxy-4-methyl-1H-pyridin-2-one
CID 130100101
2-[4-(difluoromethyl)-5-hydroxy-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 118852469
5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride
CID 130072824
5-chloro-4-(difluoromethyl)-3-(hydroxymethyl)-1H-pyridin-2-one
CID 130072604
5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 130072677
5-chloro-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 130072683
5-bromo-3-(difluoromethyl)-4-hydroxy-1H-pyridin-2-one
CID 130099978
5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130072642
3-chloro-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one
CID 130072290
2-[4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridin-3-yl]acetic acid
CID 118841203
4-(difluoromethyl)-5-hydroxy-6-oxo-1H-pyridine-3-carboxamide
CID 130100336

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one?
The IUPAC name of 3-chloro-4-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one (CID 130100000) is 3-chloro-4-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-4-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-4-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one is O=c1[nH]cc(O)c(C(F)F)c1Cl.
What is the InChIKey of 3-chloro-4-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one?
The InChIKey is TYRRUSLKVYSUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF2NO2/c7-4-3(5(8)9)2(11)1-10-6(4)12/h1,5,11H,(H,10,12).
What are the key properties of 3-chloro-4-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one?
3-chloro-4-(difluoromethyl)-5-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 3-chloro-4-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 130100000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).