4-chloro-6-methyl-1H-pyridin-2-one

C6H6ClNO — CID 58134605

IUPAC4-chloro-6-methyl-1H-pyridin-2-one
SMILESCc1cc(Cl)cc(=O)[nH]1
InChIInChI=1S/C6H6ClNO/c1-4-2-5(7)3-6(9)8-4/h2-3H,1H3,(H,8,9)
InChIKeyKVNCIZDMBVKRKV-UHFFFAOYSA-N
MW143.57 g/mol
LogP1.34
Rot. Bonds

About 4-chloro-6-methyl-1H-pyridin-2-one

4-chloro-6-methyl-1H-pyridin-2-one (PubChem CID 58134605) has the molecular formula C6H6ClNO and a molecular weight of 143.57 g/mol. Its IUPAC name is 4-chloro-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-chloro-6-methyl-1H-pyridin-2-one
PubChem CID58134605
Molecular FormulaC6H6ClNO
Molecular Weight143.57 g/mol
Exact Mass143.01
IUPAC Name4-chloro-6-methyl-1H-pyridin-2-one
SMILESCc1cc(Cl)cc(=O)[nH]1
InChIInChI=1S/C6H6ClNO/c1-4-2-5(7)3-6(9)8-4/h2-3H,1H3,(H,8,9)
InChIKeyKVNCIZDMBVKRKV-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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-1H-pyridin-2-one?
The IUPAC name of 4-chloro-6-methyl-1H-pyridin-2-one (CID 58134605) is 4-chloro-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-chloro-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-chloro-6-methyl-1H-pyridin-2-one is Cc1cc(Cl)cc(=O)[nH]1.
What is the InChIKey of 4-chloro-6-methyl-1H-pyridin-2-one?
The InChIKey is KVNCIZDMBVKRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO/c1-4-2-5(7)3-6(9)8-4/h2-3H,1H3,(H,8,9).
What are the key properties of 4-chloro-6-methyl-1H-pyridin-2-one?
4-chloro-6-methyl-1H-pyridin-2-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 4-chloro-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 58134605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).