(2-methyl-5-nitrophenyl)-pyridin-2-ylmethanone

C13H10N2O3 — CID 118813911

IUPAC(2-methyl-5-nitrophenyl)-pyridin-2-ylmethanone
SMILESCc1ccc([N+](=O)[O-])cc1C(=O)c1ccccn1
InChIInChI=1S/C13H10N2O3/c1-9-5-6-10(15(17)18)8-11(9)13(16)12-4-2-3-7-14-12/h2-8H,1H3
InChIKeyNMMIZLFTEFNIES-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.53
Rot. Bonds3

About (2-methyl-5-nitrophenyl)-pyridin-2-ylmethanone

(2-methyl-5-nitrophenyl)-pyridin-2-ylmethanone (PubChem CID 118813911) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is (2-methyl-5-nitrophenyl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(2-methyl-5-nitrophenyl)-pyridin-2-ylmethanone
PubChem CID118813911
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name(2-methyl-5-nitrophenyl)-pyridin-2-ylmethanone
SMILESCc1ccc([N+](=O)[O-])cc1C(=O)c1ccccn1
InChIInChI=1S/C13H10N2O3/c1-9-5-6-10(15(17)18)8-11(9)13(16)12-4-2-3-7-14-12/h2-8H,1H3
InChIKeyNMMIZLFTEFNIES-UHFFFAOYSA-N
XLogP2.53
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.53
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

(2-amino-4-nitrophenyl)-pyridin-2-ylmethanone
CID 118836157
[5-nitro-2-(trifluoromethyl)phenyl]-pyridin-2-ylmethanone
CID 118830643
1-(2-methyl-5-nitrophenyl)-2-(3-methyl-2-pyridinyl)ethanone
CID 66447836
methyl 5-nitro-2-[2-(pyridin-2-ylamino)ethylamino]benzoate
CID 36566494
N-(2-methyl-5-nitrophenyl)-2-pyridin-2-ylacetamide
CID 110468231
N-(2-methyl-5-nitrophenyl)-3-pyridin-2-ylprop-2-enamide
CID 67494338
(2-methyl-4-nitrophenyl)-phenylmethanone
CID 12846491
N-(4-chloro-2-pyridinyl)-2-methyl-5-nitrobenzamide
CID 115627296
2-amino-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide
CID 62059685
6-ethyl-3-methyl-5-(pyridine-2-carbonyl)-1H-pyridin-2-one
CID 21293564
(2-methyl-5-nitro-2,3-dihydroindol-1-yl)-pyridin-2-ylmethanone
CID 56825583
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 7776690

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-nitrophenyl)-pyridin-2-ylmethanone?
The IUPAC name of (2-methyl-5-nitrophenyl)-pyridin-2-ylmethanone (CID 118813911) is (2-methyl-5-nitrophenyl)-pyridin-2-ylmethanone.
What is the SMILES notation for (2-methyl-5-nitrophenyl)-pyridin-2-ylmethanone?
The canonical SMILES for (2-methyl-5-nitrophenyl)-pyridin-2-ylmethanone is Cc1ccc([N+](=O)[O-])cc1C(=O)c1ccccn1.
What is the InChIKey of (2-methyl-5-nitrophenyl)-pyridin-2-ylmethanone?
The InChIKey is NMMIZLFTEFNIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c1-9-5-6-10(15(17)18)8-11(9)13(16)12-4-2-3-7-14-12/h2-8H,1H3.
What are the key properties of (2-methyl-5-nitrophenyl)-pyridin-2-ylmethanone?
(2-methyl-5-nitrophenyl)-pyridin-2-ylmethanone has a molecular weight of 242.23 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-nitrophenyl)-pyridin-2-ylmethanone is sourced from PubChem (CID 118813911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).