4-chloro-6-methyl-1-(2-methylpropyl)pyridin-2-one

C10H14ClNO — CID 97181799

IUPAC4-chloro-6-methyl-1-(2-methylpropyl)pyridin-2-one
SMILESCc1cc(Cl)cc(=O)n1CC(C)C
InChIInChI=1S/C10H14ClNO/c1-7(2)6-12-8(3)4-9(11)5-10(12)13/h4-5,7H,6H2,1-3H3
InChIKeyXOTFUVVXZAWROJ-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.47
Rot. Bonds2

About 4-chloro-6-methyl-1-(2-methylpropyl)pyridin-2-one

4-chloro-6-methyl-1-(2-methylpropyl)pyridin-2-one (PubChem CID 97181799) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 4-chloro-6-methyl-1-(2-methylpropyl)pyridin-2-one.

Molecular Properties

Compound Name4-chloro-6-methyl-1-(2-methylpropyl)pyridin-2-one
PubChem CID97181799
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name4-chloro-6-methyl-1-(2-methylpropyl)pyridin-2-one
SMILESCc1cc(Cl)cc(=O)n1CC(C)C
InChIInChI=1S/C10H14ClNO/c1-7(2)6-12-8(3)4-9(11)5-10(12)13/h4-5,7H,6H2,1-3H3
InChIKeyXOTFUVVXZAWROJ-UHFFFAOYSA-N
XLogP2.47
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-1-(2-methylpropyl)pyridin-2-one?
The IUPAC name of 4-chloro-6-methyl-1-(2-methylpropyl)pyridin-2-one (CID 97181799) is 4-chloro-6-methyl-1-(2-methylpropyl)pyridin-2-one.
What is the SMILES notation for 4-chloro-6-methyl-1-(2-methylpropyl)pyridin-2-one?
The canonical SMILES for 4-chloro-6-methyl-1-(2-methylpropyl)pyridin-2-one is Cc1cc(Cl)cc(=O)n1CC(C)C.
What is the InChIKey of 4-chloro-6-methyl-1-(2-methylpropyl)pyridin-2-one?
The InChIKey is XOTFUVVXZAWROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-7(2)6-12-8(3)4-9(11)5-10(12)13/h4-5,7H,6H2,1-3H3.
What are the key properties of 4-chloro-6-methyl-1-(2-methylpropyl)pyridin-2-one?
4-chloro-6-methyl-1-(2-methylpropyl)pyridin-2-one has a molecular weight of 199.68 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-1-(2-methylpropyl)pyridin-2-one is sourced from PubChem (CID 97181799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).