1-(3-chloro-2-hydroxypropyl)pyridin-2-one

C8H10ClNO2 — CID 24741265

IUPAC1-(3-chloro-2-hydroxypropyl)pyridin-2-one
SMILESO=c1ccccn1CC(O)CCl
InChIInChI=1S/C8H10ClNO2/c9-5-7(11)6-10-4-2-1-3-8(10)12/h1-4,7,11H,5-6H2
InChIKeyFATAUWQTBKICGY-UHFFFAOYSA-N
MW187.63 g/mol
LogP0.45
Rot. Bonds3

About 1-(3-chloro-2-hydroxypropyl)pyridin-2-one

1-(3-chloro-2-hydroxypropyl)pyridin-2-one (PubChem CID 24741265) has the molecular formula C8H10ClNO2 and a molecular weight of 187.63 g/mol. Its IUPAC name is 1-(3-chloro-2-hydroxypropyl)pyridin-2-one.

Molecular Properties

Compound Name1-(3-chloro-2-hydroxypropyl)pyridin-2-one
PubChem CID24741265
Molecular FormulaC8H10ClNO2
Molecular Weight187.63 g/mol
Exact Mass187.04
IUPAC Name1-(3-chloro-2-hydroxypropyl)pyridin-2-one
SMILESO=c1ccccn1CC(O)CCl
InChIInChI=1S/C8H10ClNO2/c9-5-7(11)6-10-4-2-1-3-8(10)12/h1-4,7,11H,5-6H2
InChIKeyFATAUWQTBKICGY-UHFFFAOYSA-N
XLogP0.45
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-hydroxypropyl)pyridin-2-one?
The IUPAC name of 1-(3-chloro-2-hydroxypropyl)pyridin-2-one (CID 24741265) is 1-(3-chloro-2-hydroxypropyl)pyridin-2-one.
What is the SMILES notation for 1-(3-chloro-2-hydroxypropyl)pyridin-2-one?
The canonical SMILES for 1-(3-chloro-2-hydroxypropyl)pyridin-2-one is O=c1ccccn1CC(O)CCl.
What is the InChIKey of 1-(3-chloro-2-hydroxypropyl)pyridin-2-one?
The InChIKey is FATAUWQTBKICGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2/c9-5-7(11)6-10-4-2-1-3-8(10)12/h1-4,7,11H,5-6H2.
What are the key properties of 1-(3-chloro-2-hydroxypropyl)pyridin-2-one?
1-(3-chloro-2-hydroxypropyl)pyridin-2-one has a molecular weight of 187.63 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-hydroxypropyl)pyridin-2-one is sourced from PubChem (CID 24741265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).