(4-methoxy-3-nitrophenyl)-(6-methyl-2-pyridinyl)methanone

C14H12N2O4 — CID 54170364

IUPAC(4-methoxy-3-nitrophenyl)-(6-methyl-2-pyridinyl)methanone
SMILESCOc1ccc(C(=O)c2cccc(C)n2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H12N2O4/c1-9-4-3-5-11(15-9)14(17)10-6-7-13(20-2)12(8-10)16(18)19/h3-8H,1-2H3
InChIKeyOUOZPLLCWCAMIY-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.54
Rot. Bonds4

About (4-methoxy-3-nitrophenyl)-(6-methyl-2-pyridinyl)methanone

(4-methoxy-3-nitrophenyl)-(6-methyl-2-pyridinyl)methanone (PubChem CID 54170364) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is (4-methoxy-3-nitrophenyl)-(6-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name(4-methoxy-3-nitrophenyl)-(6-methyl-2-pyridinyl)methanone
PubChem CID54170364
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name(4-methoxy-3-nitrophenyl)-(6-methyl-2-pyridinyl)methanone
SMILESCOc1ccc(C(=O)c2cccc(C)n2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H12N2O4/c1-9-4-3-5-11(15-9)14(17)10-6-7-13(20-2)12(8-10)16(18)19/h3-8H,1-2H3
InChIKeyOUOZPLLCWCAMIY-UHFFFAOYSA-N
XLogP2.54
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methanone
CID 12623269
1,2-bis(4-methoxy-3-nitrophenyl)ethane-1,2-dione
CID 3126152
(2,4-dimethylphenyl)-(4-methoxy-3-nitrophenyl)methanone
CID 91678423
(4-methoxy-2,5-dimethylphenyl)-(6-methyl-2-pyridinyl)methanone
CID 113370085
(4-methoxy-3-nitrobenzoyl)carbamic acid;hydrochloride
CID 70634064
2-amino-1-(4-methoxy-3-nitrophenyl)ethanone
CID 7176072
N'-benzoyl-4-methoxy-3-nitrobenzohydrazide
CID 4570893
N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]pyridine-2-carboxamide
CID 5335115
[4-(2-methoxy-4-methylphenoxy)-3-nitrophenyl]-phenylmethanone
CID 9112236
(3-chloro-4-methylphenyl)-(6-methyl-2-pyridinyl)methanone
CID 107559828
3-bromo-1-(4-methoxy-3-nitrophenyl)propan-1-one
CID 82136360
(3,4-dimethoxyphenyl)-(4-fluoro-3-nitrophenyl)methanone
CID 142658241

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-nitrophenyl)-(6-methyl-2-pyridinyl)methanone?
The IUPAC name of (4-methoxy-3-nitrophenyl)-(6-methyl-2-pyridinyl)methanone (CID 54170364) is (4-methoxy-3-nitrophenyl)-(6-methyl-2-pyridinyl)methanone.
What is the SMILES notation for (4-methoxy-3-nitrophenyl)-(6-methyl-2-pyridinyl)methanone?
The canonical SMILES for (4-methoxy-3-nitrophenyl)-(6-methyl-2-pyridinyl)methanone is COc1ccc(C(=O)c2cccc(C)n2)cc1[N+](=O)[O-].
What is the InChIKey of (4-methoxy-3-nitrophenyl)-(6-methyl-2-pyridinyl)methanone?
The InChIKey is OUOZPLLCWCAMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-9-4-3-5-11(15-9)14(17)10-6-7-13(20-2)12(8-10)16(18)19/h3-8H,1-2H3.
What are the key properties of (4-methoxy-3-nitrophenyl)-(6-methyl-2-pyridinyl)methanone?
(4-methoxy-3-nitrophenyl)-(6-methyl-2-pyridinyl)methanone has a molecular weight of 272.26 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-nitrophenyl)-(6-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 54170364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).