3-chloro-6-methyl-5-pyridin-3-yl-1H-pyridin-2-one

C11H9ClN2O — CID 20514967

IUPAC3-chloro-6-methyl-5-pyridin-3-yl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(Cl)cc1-c1cccnc1
InChIInChI=1S/C11H9ClN2O/c1-7-9(5-10(12)11(15)14-7)8-3-2-4-13-6-8/h2-6H,1H3,(H,14,15)
InChIKeyYQVNJWTXZNBIFZ-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.40
Rot. Bonds1

About 3-chloro-6-methyl-5-pyridin-3-yl-1H-pyridin-2-one

3-chloro-6-methyl-5-pyridin-3-yl-1H-pyridin-2-one (PubChem CID 20514967) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 3-chloro-6-methyl-5-pyridin-3-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-6-methyl-5-pyridin-3-yl-1H-pyridin-2-one
PubChem CID20514967
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name3-chloro-6-methyl-5-pyridin-3-yl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(Cl)cc1-c1cccnc1
InChIInChI=1S/C11H9ClN2O/c1-7-9(5-10(12)11(15)14-7)8-3-2-4-13-6-8/h2-6H,1H3,(H,14,15)
InChIKeyYQVNJWTXZNBIFZ-UHFFFAOYSA-N
XLogP2.40
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methyl-5-pyridin-3-yl-1H-pyridin-2-one?
The IUPAC name of 3-chloro-6-methyl-5-pyridin-3-yl-1H-pyridin-2-one (CID 20514967) is 3-chloro-6-methyl-5-pyridin-3-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-6-methyl-5-pyridin-3-yl-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-6-methyl-5-pyridin-3-yl-1H-pyridin-2-one is Cc1[nH]c(=O)c(Cl)cc1-c1cccnc1.
What is the InChIKey of 3-chloro-6-methyl-5-pyridin-3-yl-1H-pyridin-2-one?
The InChIKey is YQVNJWTXZNBIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c1-7-9(5-10(12)11(15)14-7)8-3-2-4-13-6-8/h2-6H,1H3,(H,14,15).
What are the key properties of 3-chloro-6-methyl-5-pyridin-3-yl-1H-pyridin-2-one?
3-chloro-6-methyl-5-pyridin-3-yl-1H-pyridin-2-one has a molecular weight of 220.66 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methyl-5-pyridin-3-yl-1H-pyridin-2-one is sourced from PubChem (CID 20514967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).