3-chloro-1-methylpyridin-4-one

C6H6ClNO — CID 74890166

IUPAC3-chloro-1-methylpyridin-4-one
SMILESCn1ccc(=O)c(Cl)c1
InChIInChI=1S/C6H6ClNO/c1-8-3-2-6(9)5(7)4-8/h2-4H,1H3
InChIKeySGXZJRISNDLSSU-UHFFFAOYSA-N
MW143.57 g/mol
LogP1.04
Rot. Bonds

About 3-chloro-1-methylpyridin-4-one

3-chloro-1-methylpyridin-4-one (PubChem CID 74890166) has the molecular formula C6H6ClNO and a molecular weight of 143.57 g/mol. Its IUPAC name is 3-chloro-1-methylpyridin-4-one.

Molecular Properties

Compound Name3-chloro-1-methylpyridin-4-one
PubChem CID74890166
Molecular FormulaC6H6ClNO
Molecular Weight143.57 g/mol
Exact Mass143.01
IUPAC Name3-chloro-1-methylpyridin-4-one
SMILESCn1ccc(=O)c(Cl)c1
InChIInChI=1S/C6H6ClNO/c1-8-3-2-6(9)5(7)4-8/h2-4H,1H3
InChIKeySGXZJRISNDLSSU-UHFFFAOYSA-N
XLogP1.04
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.57
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-methylpyridin-4-one?
The IUPAC name of 3-chloro-1-methylpyridin-4-one (CID 74890166) is 3-chloro-1-methylpyridin-4-one.
What is the SMILES notation for 3-chloro-1-methylpyridin-4-one?
The canonical SMILES for 3-chloro-1-methylpyridin-4-one is Cn1ccc(=O)c(Cl)c1.
What is the InChIKey of 3-chloro-1-methylpyridin-4-one?
The InChIKey is SGXZJRISNDLSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO/c1-8-3-2-6(9)5(7)4-8/h2-4H,1H3.
What are the key properties of 3-chloro-1-methylpyridin-4-one?
3-chloro-1-methylpyridin-4-one has a molecular weight of 143.57 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-methylpyridin-4-one is sourced from PubChem (CID 74890166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).