2-(4-methylphenyl)-3-nitropyridine

C12H10N2O2 — CID 11241348

IUPAC2-(4-methylphenyl)-3-nitropyridine
SMILESCc1ccc(-c2ncccc2[N+](=O)[O-])cc1
InChIInChI=1S/C12H10N2O2/c1-9-4-6-10(7-5-9)12-11(14(15)16)3-2-8-13-12/h2-8H,1H3
InChIKeyRQQJAMKQXWKJMY-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.97
Rot. Bonds2

About 2-(4-methylphenyl)-3-nitropyridine

2-(4-methylphenyl)-3-nitropyridine (PubChem CID 11241348) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-nitropyridine.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-nitropyridine
PubChem CID11241348
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name2-(4-methylphenyl)-3-nitropyridine
SMILESCc1ccc(-c2ncccc2[N+](=O)[O-])cc1
InChIInChI=1S/C12H10N2O2/c1-9-4-6-10(7-5-9)12-11(14(15)16)3-2-8-13-12/h2-8H,1H3
InChIKeyRQQJAMKQXWKJMY-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3-nitropyridine?
The IUPAC name of 2-(4-methylphenyl)-3-nitropyridine (CID 11241348) is 2-(4-methylphenyl)-3-nitropyridine.
What is the SMILES notation for 2-(4-methylphenyl)-3-nitropyridine?
The canonical SMILES for 2-(4-methylphenyl)-3-nitropyridine is Cc1ccc(-c2ncccc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-methylphenyl)-3-nitropyridine?
The InChIKey is RQQJAMKQXWKJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-9-4-6-10(7-5-9)12-11(14(15)16)3-2-8-13-12/h2-8H,1H3.
What are the key properties of 2-(4-methylphenyl)-3-nitropyridine?
2-(4-methylphenyl)-3-nitropyridine 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 2-(4-methylphenyl)-3-nitropyridine is sourced from PubChem (CID 11241348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).