1-(3-methyl-4-nitrophenyl)-2-pyridin-2-ylpropan-1-one

C15H14N2O3 — CID 66446209

IUPAC1-(3-methyl-4-nitrophenyl)-2-pyridin-2-ylpropan-1-one
SMILESCc1cc(C(=O)C(C)c2ccccn2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H14N2O3/c1-10-9-12(6-7-14(10)17(19)20)15(18)11(2)13-5-3-4-8-16-13/h3-9,11H,1-2H3
InChIKeyVDDYVEVBJDGNLQ-UHFFFAOYSA-N
MW270.29 g/mol
LogP3.28
Rot. Bonds4

About 1-(3-methyl-4-nitrophenyl)-2-pyridin-2-ylpropan-1-one

1-(3-methyl-4-nitrophenyl)-2-pyridin-2-ylpropan-1-one (PubChem CID 66446209) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-(3-methyl-4-nitrophenyl)-2-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-methyl-4-nitrophenyl)-2-pyridin-2-ylpropan-1-one
PubChem CID66446209
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name1-(3-methyl-4-nitrophenyl)-2-pyridin-2-ylpropan-1-one
SMILESCc1cc(C(=O)C(C)c2ccccn2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H14N2O3/c1-10-9-12(6-7-14(10)17(19)20)15(18)11(2)13-5-3-4-8-16-13/h3-9,11H,1-2H3
InChIKeyVDDYVEVBJDGNLQ-UHFFFAOYSA-N
XLogP3.28
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.28
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-(5-methylfuran-3-yl)-2-pyridin-2-ylpropan-1-one
CID 114821425
1-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylpropan-1-one
CID 66446406
(2R)-2-pyridin-2-ylpropanoate
CID 86306983
2-pyridin-2-yl-1-(3,4,5-trifluorophenyl)propan-1-one
CID 66447774
lithium 2-pyridin-2-ylpropanoate
CID 175058549
(3-methyl-4-nitrophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 806858
(3-methyl-4-nitrophenyl)-(2-methylphenyl)methanone
CID 11391183
1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-one
CID 66448942
2,4-dipyridin-2-ylpentan-3-one
CID 141048798
4-methylsulfanyl-3-nitro-N-(1-pyridin-2-ylethyl)benzamide
CID 17402957
3-nitro-N-(1-pyridin-2-ylethyl)-4-(1-pyridin-2-ylethylamino)benzamide
CID 55996168
1-(5-bromo-2-methylphenyl)-2-pyridin-2-ylpropan-1-one
CID 66448162

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-nitrophenyl)-2-pyridin-2-ylpropan-1-one?
The IUPAC name of 1-(3-methyl-4-nitrophenyl)-2-pyridin-2-ylpropan-1-one (CID 66446209) is 1-(3-methyl-4-nitrophenyl)-2-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 1-(3-methyl-4-nitrophenyl)-2-pyridin-2-ylpropan-1-one?
The canonical SMILES for 1-(3-methyl-4-nitrophenyl)-2-pyridin-2-ylpropan-1-one is Cc1cc(C(=O)C(C)c2ccccn2)ccc1[N+](=O)[O-].
What is the InChIKey of 1-(3-methyl-4-nitrophenyl)-2-pyridin-2-ylpropan-1-one?
The InChIKey is VDDYVEVBJDGNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-9-12(6-7-14(10)17(19)20)15(18)11(2)13-5-3-4-8-16-13/h3-9,11H,1-2H3.
What are the key properties of 1-(3-methyl-4-nitrophenyl)-2-pyridin-2-ylpropan-1-one?
1-(3-methyl-4-nitrophenyl)-2-pyridin-2-ylpropan-1-one has a molecular weight of 270.29 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-nitrophenyl)-2-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 66446209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).