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

C7H6ClF2NO2 — CID 130072604

IUPAC5-chloro-4-(difluoromethyl)-3-(hydroxymethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(Cl)c(C(F)F)c1CO
InChIInChI=1S/C7H6ClF2NO2/c8-4-1-11-7(13)3(2-12)5(4)6(9)10/h1,6,12H,2H2,(H,11,13)
InChIKeyKGKKQERXGJKQMU-UHFFFAOYSA-N
MW209.58 g/mol
LogP1.46
Rot. Bonds2

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

5-chloro-4-(difluoromethyl)-3-(hydroxymethyl)-1H-pyridin-2-one (PubChem CID 130072604) has the molecular formula C7H6ClF2NO2 and a molecular weight of 209.58 g/mol. Its IUPAC name is 5-chloro-4-(difluoromethyl)-3-(hydroxymethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-chloro-4-(difluoromethyl)-3-(hydroxymethyl)-1H-pyridin-2-one
PubChem CID130072604
Molecular FormulaC7H6ClF2NO2
Molecular Weight209.58 g/mol
Exact Mass209.01
IUPAC Name5-chloro-4-(difluoromethyl)-3-(hydroxymethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(Cl)c(C(F)F)c1CO
InChIInChI=1S/C7H6ClF2NO2/c8-4-1-11-7(13)3(2-12)5(4)6(9)10/h1,6,12H,2H2,(H,11,13)
InChIKeyKGKKQERXGJKQMU-UHFFFAOYSA-N
XLogP1.46
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.58
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(difluoromethyl)-3-(hydroxymethyl)-5-methoxy-1H-pyridin-2-one
CID 118817883
methyl 2-[5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate
CID 134673994
3-(difluoromethyl)-5-fluoro-4-(hydroxymethyl)-1H-pyridin-2-one
CID 130079591
5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride
CID 130072824
5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 130072677
3-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 130085385
3-(aminomethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 130084595
5-chloro-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 130072683
3-(difluoromethyl)-4-(hydroxymethyl)-5-methoxy-1H-pyridin-2-one
CID 130083415
5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130072642
3-chloro-4-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one
CID 130100000
5-(chloromethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
CID 130085194

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(difluoromethyl)-3-(hydroxymethyl)-1H-pyridin-2-one?
The IUPAC name of 5-chloro-4-(difluoromethyl)-3-(hydroxymethyl)-1H-pyridin-2-one (CID 130072604) is 5-chloro-4-(difluoromethyl)-3-(hydroxymethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-chloro-4-(difluoromethyl)-3-(hydroxymethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-chloro-4-(difluoromethyl)-3-(hydroxymethyl)-1H-pyridin-2-one is O=c1[nH]cc(Cl)c(C(F)F)c1CO.
What is the InChIKey of 5-chloro-4-(difluoromethyl)-3-(hydroxymethyl)-1H-pyridin-2-one?
The InChIKey is KGKKQERXGJKQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2NO2/c8-4-1-11-7(13)3(2-12)5(4)6(9)10/h1,6,12H,2H2,(H,11,13).
What are the key properties of 5-chloro-4-(difluoromethyl)-3-(hydroxymethyl)-1H-pyridin-2-one?
5-chloro-4-(difluoromethyl)-3-(hydroxymethyl)-1H-pyridin-2-one has a molecular weight of 209.58 g/mol, XLogP of 1.46, 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)-3-(hydroxymethyl)-1H-pyridin-2-one is sourced from PubChem (CID 130072604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).