3-methyl-4-(2-nitrophenyl)pyridine

C12H10N2O2 — CID 603571

IUPAC3-methyl-4-(2-nitrophenyl)pyridine
SMILESCc1cnccc1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H10N2O2/c1-9-8-13-7-6-10(9)11-4-2-3-5-12(11)14(15)16/h2-8H,1H3
InChIKeyRJOYWPJXFKMOKF-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.97
Rot. Bonds2

About 3-methyl-4-(2-nitrophenyl)pyridine

3-methyl-4-(2-nitrophenyl)pyridine (PubChem CID 603571) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-methyl-4-(2-nitrophenyl)pyridine.

Molecular Properties

Compound Name3-methyl-4-(2-nitrophenyl)pyridine
PubChem CID603571
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name3-methyl-4-(2-nitrophenyl)pyridine
SMILESCc1cnccc1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H10N2O2/c1-9-8-13-7-6-10(9)11-4-2-3-5-12(11)14(15)16/h2-8H,1H3
InChIKeyRJOYWPJXFKMOKF-UHFFFAOYSA-N
XLogP2.97
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methyl-4-(2-methylphenyl)pyridine
CID 130153052
2,4-dimethyl-5-(2-nitrophenyl)pyridine
CID 121389109
1-methyl-4-(2-nitrophenyl)naphthalene
CID 66585246
5-methyl-4-(2-nitrophenyl)-1,2-oxazole
CID 21271820
3-(4-methylphenyl)-4-nitropyridine
CID 70804382
4-(4-methylphenyl)-3-nitropyridine
CID 59113375
3-methyl-4-naphthalen-1-ylpyridine
CID 12872900
1-nitro-2-phenylbenzene;pyridine
CID 174774599
4-methyl-N-[(2-nitrophenyl)methyl]pyridin-3-amine
CID 63329672
ethane;2-(2-nitrophenyl)-1,3-oxazole
CID 91192753
1-chloro-2-nitrobenzene;1-nitro-2-(2-nitrophenyl)benzene
CID 159796978
2,4-dimethyl-8-(2-nitrophenyl)quinoline
CID 10891176

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-nitrophenyl)pyridine?
The IUPAC name of 3-methyl-4-(2-nitrophenyl)pyridine (CID 603571) is 3-methyl-4-(2-nitrophenyl)pyridine.
What is the SMILES notation for 3-methyl-4-(2-nitrophenyl)pyridine?
The canonical SMILES for 3-methyl-4-(2-nitrophenyl)pyridine is Cc1cnccc1-c1ccccc1[N+](=O)[O-].
What is the InChIKey of 3-methyl-4-(2-nitrophenyl)pyridine?
The InChIKey is RJOYWPJXFKMOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-9-8-13-7-6-10(9)11-4-2-3-5-12(11)14(15)16/h2-8H,1H3.
What are the key properties of 3-methyl-4-(2-nitrophenyl)pyridine?
3-methyl-4-(2-nitrophenyl)pyridine has a molecular weight of 214.22 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-nitrophenyl)pyridine is sourced from PubChem (CID 603571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).