2-chloro-6-(hydroxymethyl)-1H-pyridin-4-one

C6H6ClNO2 — CID 119017350

IUPAC2-chloro-6-(hydroxymethyl)-1H-pyridin-4-one
SMILESO=c1cc(Cl)[nH]c(CO)c1
InChIInChI=1S/C6H6ClNO2/c7-6-2-5(10)1-4(3-9)8-6/h1-2,9H,3H2,(H,8,10)
InChIKeyJPTWSTNOMBMOJU-UHFFFAOYSA-N
MW159.57 g/mol
LogP0.52
Rot. Bonds1

About 2-chloro-6-(hydroxymethyl)-1H-pyridin-4-one

2-chloro-6-(hydroxymethyl)-1H-pyridin-4-one (PubChem CID 119017350) has the molecular formula C6H6ClNO2 and a molecular weight of 159.57 g/mol. Its IUPAC name is 2-chloro-6-(hydroxymethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-chloro-6-(hydroxymethyl)-1H-pyridin-4-one
PubChem CID119017350
Molecular FormulaC6H6ClNO2
Molecular Weight159.57 g/mol
Exact Mass159.01
IUPAC Name2-chloro-6-(hydroxymethyl)-1H-pyridin-4-one
SMILESO=c1cc(Cl)[nH]c(CO)c1
InChIInChI=1S/C6H6ClNO2/c7-6-2-5(10)1-4(3-9)8-6/h1-2,9H,3H2,(H,8,10)
InChIKeyJPTWSTNOMBMOJU-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

Computed Properties (RDKit)

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

Analyze 2-chloro-6-(hydroxymethyl)-1H-pyridin-4-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

ethyl 6-(hydroxymethyl)-4-oxo-1H-pyridine-2-carboxylate
CID 119084800
2-chloro-6-(phosphanylamino)-1H-pyridin-4-one
CID 145487630
(5,7-dichloro-1H-indol-2-yl)methanol
CID 135387634
5-chloro-2-(hydroxymethyl)-1H-pyridin-4-one
CID 130893492
4-amino-6-(hydroxymethyl)-1H-pyrimidin-2-one
CID 45080379
6-(hydroxymethyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 130787050
2-[(4-chlorophenyl)diazenyl]-3-hydroxy-6-(hydroxymethyl)-1H-pyridin-4-one
CID 135818561
2,6-dipropyl-1H-pyridin-4-one
CID 137405391
3-(difluoromethyl)-6-(hydroxymethyl)-4-methoxy-1H-pyridin-2-one
CID 130083414
(5-chloro-6-iodo-1H-indol-2-yl)methanol
CID 135396079
4-(difluoromethyl)-6-(hydroxymethyl)-3-iodo-1H-pyridin-2-one
CID 118835424
6-(hydroxymethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 137288238

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(hydroxymethyl)-1H-pyridin-4-one?
The IUPAC name of 2-chloro-6-(hydroxymethyl)-1H-pyridin-4-one (CID 119017350) is 2-chloro-6-(hydroxymethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-chloro-6-(hydroxymethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-chloro-6-(hydroxymethyl)-1H-pyridin-4-one is O=c1cc(Cl)[nH]c(CO)c1.
What is the InChIKey of 2-chloro-6-(hydroxymethyl)-1H-pyridin-4-one?
The InChIKey is JPTWSTNOMBMOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO2/c7-6-2-5(10)1-4(3-9)8-6/h1-2,9H,3H2,(H,8,10).
What are the key properties of 2-chloro-6-(hydroxymethyl)-1H-pyridin-4-one?
2-chloro-6-(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 2-chloro-6-(hydroxymethyl)-1H-pyridin-4-one is sourced from PubChem (CID 119017350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).