5-chloro-3-(3-hydroxyprop-1-enyl)-1H-pyridin-2-one

C8H8ClNO2 — CID 169453100

IUPAC5-chloro-3-(3-hydroxyprop-1-enyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(Cl)cc1C=CCO
InChIInChI=1S/C8H8ClNO2/c9-7-4-6(2-1-3-11)8(12)10-5-7/h1-2,4-5,11H,3H2,(H,10,12)
InChIKeyUBYYALATMAUGNJ-UHFFFAOYSA-N
MW185.61 g/mol
LogP1.03
Rot. Bonds2

About 5-chloro-3-(3-hydroxyprop-1-enyl)-1H-pyridin-2-one

5-chloro-3-(3-hydroxyprop-1-enyl)-1H-pyridin-2-one (PubChem CID 169453100) has the molecular formula C8H8ClNO2 and a molecular weight of 185.61 g/mol. Its IUPAC name is 5-chloro-3-(3-hydroxyprop-1-enyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-chloro-3-(3-hydroxyprop-1-enyl)-1H-pyridin-2-one
PubChem CID169453100
Molecular FormulaC8H8ClNO2
Molecular Weight185.61 g/mol
Exact Mass185.02
IUPAC Name5-chloro-3-(3-hydroxyprop-1-enyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(Cl)cc1C=CCO
InChIInChI=1S/C8H8ClNO2/c9-7-4-6(2-1-3-11)8(12)10-5-7/h1-2,4-5,11H,3H2,(H,10,12)
InChIKeyUBYYALATMAUGNJ-UHFFFAOYSA-N
XLogP1.03
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-chloro-2-oxo-1H-pyridin-3-yl)but-3-enamide
CID 170797647
3-(5-chloro-2-oxo-1H-pyridin-3-yl)prop-2-enal
CID 169458878
methyl 3-(5-chloro-2-oxo-1H-pyridin-3-yl)prop-2-enoate
CID 169478813
5-bromo-3-(3-chloroprop-1-enyl)-1H-pyridin-2-one
CID 169478340
3-(5-chloro-2-fluoro-3-pyridinyl)prop-2-en-1-ol
CID 169453090
5-chloro-2-oxo-1H-pyridine-3-carbonyl chloride
CID 45081691
5-(3-hydroxyprop-1-enyl)-3-nitro-1H-pyridin-2-one
CID 169453634
5-chloro-3-[(1S)-2-hydroxy-1-(methylamino)ethyl]-1H-pyridin-2-one
CID 131029233
5-chloro-3-[3-(methylamino)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]-1H-pyridin-2-one
CID 170814238
3-chloro-5-(3-hydroxyprop-1-enyl)phenol
CID 169452950
2,5-dichloro-4-(3-hydroxyprop-1-enyl)phenol
CID 169453261
3-(6-chloro-1H-indol-5-yl)prop-2-en-1-ol
CID 169453478

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3-hydroxyprop-1-enyl)-1H-pyridin-2-one?
The IUPAC name of 5-chloro-3-(3-hydroxyprop-1-enyl)-1H-pyridin-2-one (CID 169453100) is 5-chloro-3-(3-hydroxyprop-1-enyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-chloro-3-(3-hydroxyprop-1-enyl)-1H-pyridin-2-one?
The canonical SMILES for 5-chloro-3-(3-hydroxyprop-1-enyl)-1H-pyridin-2-one is O=c1[nH]cc(Cl)cc1C=CCO.
What is the InChIKey of 5-chloro-3-(3-hydroxyprop-1-enyl)-1H-pyridin-2-one?
The InChIKey is UBYYALATMAUGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2/c9-7-4-6(2-1-3-11)8(12)10-5-7/h1-2,4-5,11H,3H2,(H,10,12).
What are the key properties of 5-chloro-3-(3-hydroxyprop-1-enyl)-1H-pyridin-2-one?
5-chloro-3-(3-hydroxyprop-1-enyl)-1H-pyridin-2-one has a molecular weight of 185.61 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(3-hydroxyprop-1-enyl)-1H-pyridin-2-one is sourced from PubChem (CID 169453100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).