2-chloro-5-methyl-1H-pyridin-4-one

C6H6ClNO — CID 71758064

IUPAC2-chloro-5-methyl-1H-pyridin-4-one
SMILESCc1c[nH]c(Cl)cc1=O
InChIInChI=1S/C6H6ClNO/c1-4-3-8-6(7)2-5(4)9/h2-3H,1H3,(H,8,9)
InChIKeyGOUISLIKOIBJMR-UHFFFAOYSA-N
MW143.57 g/mol
LogP1.34
Rot. Bonds

About 2-chloro-5-methyl-1H-pyridin-4-one

2-chloro-5-methyl-1H-pyridin-4-one (PubChem CID 71758064) has the molecular formula C6H6ClNO and a molecular weight of 143.57 g/mol. Its IUPAC name is 2-chloro-5-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-chloro-5-methyl-1H-pyridin-4-one
PubChem CID71758064
Molecular FormulaC6H6ClNO
Molecular Weight143.57 g/mol
Exact Mass143.01
IUPAC Name2-chloro-5-methyl-1H-pyridin-4-one
SMILESCc1c[nH]c(Cl)cc1=O
InChIInChI=1S/C6H6ClNO/c1-4-3-8-6(7)2-5(4)9/h2-3H,1H3,(H,8,9)
InChIKeyGOUISLIKOIBJMR-UHFFFAOYSA-N
XLogP1.34
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.57
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-1H-pyridin-4-one?
The IUPAC name of 2-chloro-5-methyl-1H-pyridin-4-one (CID 71758064) is 2-chloro-5-methyl-1H-pyridin-4-one.
What is the SMILES notation for 2-chloro-5-methyl-1H-pyridin-4-one?
The canonical SMILES for 2-chloro-5-methyl-1H-pyridin-4-one is Cc1c[nH]c(Cl)cc1=O.
What is the InChIKey of 2-chloro-5-methyl-1H-pyridin-4-one?
The InChIKey is GOUISLIKOIBJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO/c1-4-3-8-6(7)2-5(4)9/h2-3H,1H3,(H,8,9).
What are the key properties of 2-chloro-5-methyl-1H-pyridin-4-one?
2-chloro-5-methyl-1H-pyridin-4-one has a molecular weight of 143.57 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-1H-pyridin-4-one is sourced from PubChem (CID 71758064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).