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

C6H6ClNO2 — CID 130893492

IUPAC5-chloro-2-(hydroxymethyl)-1H-pyridin-4-one
SMILESO=c1cc(CO)[nH]cc1Cl
InChIInChI=1S/C6H6ClNO2/c7-5-2-8-4(3-9)1-6(5)10/h1-2,9H,3H2,(H,8,10)
InChIKeyUXHXRKRGAODCMU-UHFFFAOYSA-N
MW159.57 g/mol
LogP0.52
Rot. Bonds1

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

5-chloro-2-(hydroxymethyl)-1H-pyridin-4-one (PubChem CID 130893492) has the molecular formula C6H6ClNO2 and a molecular weight of 159.57 g/mol. Its IUPAC name is 5-chloro-2-(hydroxymethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name5-chloro-2-(hydroxymethyl)-1H-pyridin-4-one
PubChem CID130893492
Molecular FormulaC6H6ClNO2
Molecular Weight159.57 g/mol
Exact Mass159.01
IUPAC Name5-chloro-2-(hydroxymethyl)-1H-pyridin-4-one
SMILESO=c1cc(CO)[nH]cc1Cl
InChIInChI=1S/C6H6ClNO2/c7-5-2-8-4(3-9)1-6(5)10/h1-2,9H,3H2,(H,8,10)
InChIKeyUXHXRKRGAODCMU-UHFFFAOYSA-N
XLogP0.52
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.57
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-(hydroxymethyl)-1H-pyridin-4-one
CID 130781626
2-(hydroxymethyl)-5-(3-hydroxypropoxy)-1H-pyridin-4-one
CID 82063902
2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide
CID 82063845
2-chloro-6-(hydroxymethyl)-1H-pyridin-4-one
CID 119017350
N-cyclopentyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]acetamide
CID 82063866
2-(hydroxymethyl)-5-[2-(3-methylphenoxy)ethoxy]-1H-pyridin-4-one
CID 82063884
5-chloro-4-(difluoromethyl)-3-(hydroxymethyl)-1H-pyridin-2-one
CID 130072604
potassium;5-chloro-4-hydroxy-1H-pyridin-2-one;hydride
CID 175464848
[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1H-pyrrol-2-yl]methanol
CID 113336351
2-[(4-chlorophenyl)diazenyl]-3-hydroxy-6-(hydroxymethyl)-1H-pyridin-4-one
CID 135818561
2-(bromomethyl)-5-fluoro-1H-pyridin-4-one
CID 131073258
3-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 133093059

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(hydroxymethyl)-1H-pyridin-4-one?
The IUPAC name of 5-chloro-2-(hydroxymethyl)-1H-pyridin-4-one (CID 130893492) is 5-chloro-2-(hydroxymethyl)-1H-pyridin-4-one.
What is the SMILES notation for 5-chloro-2-(hydroxymethyl)-1H-pyridin-4-one?
The canonical SMILES for 5-chloro-2-(hydroxymethyl)-1H-pyridin-4-one is O=c1cc(CO)[nH]cc1Cl.
What is the InChIKey of 5-chloro-2-(hydroxymethyl)-1H-pyridin-4-one?
The InChIKey is UXHXRKRGAODCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO2/c7-5-2-8-4(3-9)1-6(5)10/h1-2,9H,3H2,(H,8,10).
What are the key properties of 5-chloro-2-(hydroxymethyl)-1H-pyridin-4-one?
5-chloro-2-(hydroxymethyl)-1H-pyridin-4-one has a molecular weight of 159.57 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(hydroxymethyl)-1H-pyridin-4-one is sourced from PubChem (CID 130893492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).