4-methyl-3-nitropyridine

C6H6N2O2 — CID 521828

IUPAC4-methyl-3-nitropyridine
SMILESCc1ccncc1[N+](=O)[O-]
InChIInChI=1S/C6H6N2O2/c1-5-2-3-7-4-6(5)8(9)10/h2-4H,1H3
InChIKeyJLNRJMGYBKMDGI-UHFFFAOYSA-N
MW138.13 g/mol
LogP1.30
Rot. Bonds1

About 4-methyl-3-nitropyridine

4-methyl-3-nitropyridine (PubChem CID 521828) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is 4-methyl-3-nitropyridine.

Molecular Properties

Compound Name4-methyl-3-nitropyridine
PubChem CID521828
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name4-methyl-3-nitropyridine
SMILESCc1ccncc1[N+](=O)[O-]
InChIInChI=1S/C6H6N2O2/c1-5-2-3-7-4-6(5)8(9)10/h2-4H,1H3
InChIKeyJLNRJMGYBKMDGI-UHFFFAOYSA-N
XLogP1.30
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 51.30
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 4-methyl-3-nitropyridine?
The IUPAC name of 4-methyl-3-nitropyridine (CID 521828) is 4-methyl-3-nitropyridine.
What is the SMILES notation for 4-methyl-3-nitropyridine?
The canonical SMILES for 4-methyl-3-nitropyridine is Cc1ccncc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-3-nitropyridine?
The InChIKey is JLNRJMGYBKMDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c1-5-2-3-7-4-6(5)8(9)10/h2-4H,1H3.
What are the key properties of 4-methyl-3-nitropyridine?
4-methyl-3-nitropyridine has a molecular weight of 138.13 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-nitropyridine is sourced from PubChem (CID 521828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).