3-(6-chloro-3-pyridinyl)-1-methylpyridin-2-one

C11H9ClN2O — CID 171101062

IUPAC3-(6-chloro-3-pyridinyl)-1-methylpyridin-2-one
SMILESCn1cccc(-c2ccc(Cl)nc2)c1=O
InChIInChI=1S/C11H9ClN2O/c1-14-6-2-3-9(11(14)15)8-4-5-10(12)13-7-8/h2-7H,1H3
InChIKeyMOLMGKLXOVTREN-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.10
Rot. Bonds1

About 3-(6-chloro-3-pyridinyl)-1-methylpyridin-2-one

3-(6-chloro-3-pyridinyl)-1-methylpyridin-2-one (PubChem CID 171101062) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 3-(6-chloro-3-pyridinyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-(6-chloro-3-pyridinyl)-1-methylpyridin-2-one
PubChem CID171101062
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name3-(6-chloro-3-pyridinyl)-1-methylpyridin-2-one
SMILESCn1cccc(-c2ccc(Cl)nc2)c1=O
InChIInChI=1S/C11H9ClN2O/c1-14-6-2-3-9(11(14)15)8-4-5-10(12)13-7-8/h2-7H,1H3
InChIKeyMOLMGKLXOVTREN-UHFFFAOYSA-N
XLogP2.10
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-chloropyridin-3-yl)methyl]-N-methylacetamide
CID 59843549
4-(4'-Chlorobenzoyl)pyridine
CID 98503
N,N-Diethylisonicotinamide
CID 10735
6-Chloronicotinamide
CID 80456
N,N-Dimethylnicotinamide
CID 81444
N'-(4-chlorobenzylidene)isonicotinohydrazide
CID 6861518
N-[(4-chlorophenyl)methyl]pyridine-3-carboxamide
CID 790421
3-chloro-N-[(E)-pyridin-3-ylmethylideneamino]benzamide
CID 6894075
N-(2-chlorobenzyl)isonicotinamide
CID 882114
N-[(3-chlorophenyl)methyl]pyridine-4-carboxamide
CID 1245725
4-Chloro-N,N-diethylpyridine-2-carboxamide
CID 2531799
6-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide
CID 2566057

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-3-pyridinyl)-1-methylpyridin-2-one?
The IUPAC name of 3-(6-chloro-3-pyridinyl)-1-methylpyridin-2-one (CID 171101062) is 3-(6-chloro-3-pyridinyl)-1-methylpyridin-2-one.
What is the SMILES notation for 3-(6-chloro-3-pyridinyl)-1-methylpyridin-2-one?
The canonical SMILES for 3-(6-chloro-3-pyridinyl)-1-methylpyridin-2-one is Cn1cccc(-c2ccc(Cl)nc2)c1=O.
What is the InChIKey of 3-(6-chloro-3-pyridinyl)-1-methylpyridin-2-one?
The InChIKey is MOLMGKLXOVTREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c1-14-6-2-3-9(11(14)15)8-4-5-10(12)13-7-8/h2-7H,1H3.
What are the key properties of 3-(6-chloro-3-pyridinyl)-1-methylpyridin-2-one?
3-(6-chloro-3-pyridinyl)-1-methylpyridin-2-one has a molecular weight of 220.66 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-3-pyridinyl)-1-methylpyridin-2-one is sourced from PubChem (CID 171101062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).