2-[(4-chlorophenyl)-hydroxymethyl]-3-hydroxy-1-(2-hydroxyethyl)pyridin-4-one

C14H14ClNO4 — CID 21474314

IUPAC2-[(4-chlorophenyl)-hydroxymethyl]-3-hydroxy-1-(2-hydroxyethyl)pyridin-4-one
SMILESO=c1ccn(CCO)c(C(O)c2ccc(Cl)cc2)c1O
InChIInChI=1S/C14H14ClNO4/c15-10-3-1-9(2-4-10)13(19)12-14(20)11(18)5-6-16(12)7-8-17/h1-6,13,17,19-20H,7-8H2
InChIKeyZMKAOVIUGUYOFO-UHFFFAOYSA-N
MW295.72 g/mol
LogP1.28
Rot. Bonds4

About 2-[(4-chlorophenyl)-hydroxymethyl]-3-hydroxy-1-(2-hydroxyethyl)pyridin-4-one

2-[(4-chlorophenyl)-hydroxymethyl]-3-hydroxy-1-(2-hydroxyethyl)pyridin-4-one (PubChem CID 21474314) has the molecular formula C14H14ClNO4 and a molecular weight of 295.72 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)-hydroxymethyl]-3-hydroxy-1-(2-hydroxyethyl)pyridin-4-one.

Molecular Properties

Compound Name2-[(4-chlorophenyl)-hydroxymethyl]-3-hydroxy-1-(2-hydroxyethyl)pyridin-4-one
PubChem CID21474314
Molecular FormulaC14H14ClNO4
Molecular Weight295.72 g/mol
Exact Mass295.06
IUPAC Name2-[(4-chlorophenyl)-hydroxymethyl]-3-hydroxy-1-(2-hydroxyethyl)pyridin-4-one
SMILESO=c1ccn(CCO)c(C(O)c2ccc(Cl)cc2)c1O
InChIInChI=1S/C14H14ClNO4/c15-10-3-1-9(2-4-10)13(19)12-14(20)11(18)5-6-16(12)7-8-17/h1-6,13,17,19-20H,7-8H2
InChIKeyZMKAOVIUGUYOFO-UHFFFAOYSA-N
XLogP1.28
TPSA82.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)-hydroxymethyl]-3-hydroxy-1-(2-hydroxyethyl)pyridin-4-one?
The IUPAC name of 2-[(4-chlorophenyl)-hydroxymethyl]-3-hydroxy-1-(2-hydroxyethyl)pyridin-4-one (CID 21474314) is 2-[(4-chlorophenyl)-hydroxymethyl]-3-hydroxy-1-(2-hydroxyethyl)pyridin-4-one.
What is the SMILES notation for 2-[(4-chlorophenyl)-hydroxymethyl]-3-hydroxy-1-(2-hydroxyethyl)pyridin-4-one?
The canonical SMILES for 2-[(4-chlorophenyl)-hydroxymethyl]-3-hydroxy-1-(2-hydroxyethyl)pyridin-4-one is O=c1ccn(CCO)c(C(O)c2ccc(Cl)cc2)c1O.
What is the InChIKey of 2-[(4-chlorophenyl)-hydroxymethyl]-3-hydroxy-1-(2-hydroxyethyl)pyridin-4-one?
The InChIKey is ZMKAOVIUGUYOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO4/c15-10-3-1-9(2-4-10)13(19)12-14(20)11(18)5-6-16(12)7-8-17/h1-6,13,17,19-20H,7-8H2.
What are the key properties of 2-[(4-chlorophenyl)-hydroxymethyl]-3-hydroxy-1-(2-hydroxyethyl)pyridin-4-one?
2-[(4-chlorophenyl)-hydroxymethyl]-3-hydroxy-1-(2-hydroxyethyl)pyridin-4-one has a molecular weight of 295.72 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)-hydroxymethyl]-3-hydroxy-1-(2-hydroxyethyl)pyridin-4-one is sourced from PubChem (CID 21474314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).