1-(2,6-dimethyl-4-nitrophenyl)pyridin-2-one

C13H12N2O3 — CID 174684212

IUPAC1-(2,6-dimethyl-4-nitrophenyl)pyridin-2-one
SMILESCc1cc([N+](=O)[O-])cc(C)c1-n1ccccc1=O
InChIInChI=1S/C13H12N2O3/c1-9-7-11(15(17)18)8-10(2)13(9)14-6-4-3-5-12(14)16/h3-8H,1-2H3
InChIKeyLKBCVSIKNPLYSV-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.36
Rot. Bonds2

About 1-(2,6-dimethyl-4-nitrophenyl)pyridin-2-one

1-(2,6-dimethyl-4-nitrophenyl)pyridin-2-one (PubChem CID 174684212) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 1-(2,6-dimethyl-4-nitrophenyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2,6-dimethyl-4-nitrophenyl)pyridin-2-one
PubChem CID174684212
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name1-(2,6-dimethyl-4-nitrophenyl)pyridin-2-one
SMILESCc1cc([N+](=O)[O-])cc(C)c1-n1ccccc1=O
InChIInChI=1S/C13H12N2O3/c1-9-7-11(15(17)18)8-10(2)13(9)14-6-4-3-5-12(14)16/h3-8H,1-2H3
InChIKeyLKBCVSIKNPLYSV-UHFFFAOYSA-N
XLogP2.36
TPSA65.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-amino-2,6-dimethylphenyl)pyridin-2-one
CID 129044115
2-(2-bromo-6-methyl-4-nitrophenyl)isoindole-1,3-dione
CID 168516023
1-(5-nitro-2-pyridinyl)pyridin-2-one
CID 4556084
4-(2,6-dimethyl-4-nitrophenyl)-1,2,4-triazolidine-3,5-dione
CID 142606545
1-methyl-3-nitroanthracene-9,10-dione
CID 86256957
(4-nitrophenyl) N-[2-methyl-4-(2-oxo-1-pyridinyl)phenyl]carbamate
CID 58748201
1-O-[1-(2,6-dimethyl-4-nitrophenyl)-2-oxo-3-pyridinyl] 3-O-ethyl 2-ethylpropanedioate
CID 174672586
2,6-dimethyl-4-nitrophenolate
CID 6993803
1-(4-methylphenyl)pyridin-2-one
CID 10821386
N-(2-methyl-4-nitrophenyl)pyrrol-1-amine
CID 79106363
(2,6-dimethyl-4-nitrophenyl)boronic acid
CID 130120841
1-methyl-5-nitroazonine
CID 144831844

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-4-nitrophenyl)pyridin-2-one?
The IUPAC name of 1-(2,6-dimethyl-4-nitrophenyl)pyridin-2-one (CID 174684212) is 1-(2,6-dimethyl-4-nitrophenyl)pyridin-2-one.
What is the SMILES notation for 1-(2,6-dimethyl-4-nitrophenyl)pyridin-2-one?
The canonical SMILES for 1-(2,6-dimethyl-4-nitrophenyl)pyridin-2-one is Cc1cc([N+](=O)[O-])cc(C)c1-n1ccccc1=O.
What is the InChIKey of 1-(2,6-dimethyl-4-nitrophenyl)pyridin-2-one?
The InChIKey is LKBCVSIKNPLYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-9-7-11(15(17)18)8-10(2)13(9)14-6-4-3-5-12(14)16/h3-8H,1-2H3.
What are the key properties of 1-(2,6-dimethyl-4-nitrophenyl)pyridin-2-one?
1-(2,6-dimethyl-4-nitrophenyl)pyridin-2-one has a molecular weight of 244.25 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-4-nitrophenyl)pyridin-2-one is sourced from PubChem (CID 174684212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).