3-methyl-5-(5-nitro-3-pyridinyl)pyridine

C11H9N3O2 — CID 70542903

IUPAC3-methyl-5-(5-nitro-3-pyridinyl)pyridine
SMILESCc1cncc(-c2cncc([N+](=O)[O-])c2)c1
InChIInChI=1S/C11H9N3O2/c1-8-2-9(5-12-4-8)10-3-11(14(15)16)7-13-6-10/h2-7H,1H3
InChIKeyGVFUTVIPYGMVAX-UHFFFAOYSA-N
MW215.21 g/mol
LogP2.36
Rot. Bonds2

About 3-methyl-5-(5-nitro-3-pyridinyl)pyridine

3-methyl-5-(5-nitro-3-pyridinyl)pyridine (PubChem CID 70542903) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 3-methyl-5-(5-nitro-3-pyridinyl)pyridine.

Molecular Properties

Compound Name3-methyl-5-(5-nitro-3-pyridinyl)pyridine
PubChem CID70542903
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name3-methyl-5-(5-nitro-3-pyridinyl)pyridine
SMILESCc1cncc(-c2cncc([N+](=O)[O-])c2)c1
InChIInChI=1S/C11H9N3O2/c1-8-2-9(5-12-4-8)10-3-11(14(15)16)7-13-6-10/h2-7H,1H3
InChIKeyGVFUTVIPYGMVAX-UHFFFAOYSA-N
XLogP2.36
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.36
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

3-(5-methyl-1H-pyrrol-2-yl)-5-nitropyridine
CID 172593409
5-nitropyridin-3-amine;hydrochloride
CID 53408315
4-(5-methyl-3-pyridinyl)-3-nitrobenzoic acid
CID 113326125
(1R)-1-(5-nitro-3-pyridinyl)ethanamine
CID 96849811
3-methyl-5-(3-nitrophenoxy)pyridine
CID 23023073
5-fluoro-2-(3-methyl-5-nitrophenyl)pyrimidine
CID 177331778
3-(4-nitrophenyl)-5-(trifluoromethyl)pyridine
CID 169048289
N-methyl-5-nitropyridine-3-carboxamide
CID 21405292
2-methyl-5-(6-methyl-5-nitro-3-pyridinyl)-3-nitropyridine
CID 66524275
5-(2-methyl-5-nitrophenyl)pyrimidine
CID 23503692
5-(5-methyl-3-pyridinyl)-1H-pyrazol-4-amine
CID 165495741
CID 174996178
CID 174996178

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(5-nitro-3-pyridinyl)pyridine?
The IUPAC name of 3-methyl-5-(5-nitro-3-pyridinyl)pyridine (CID 70542903) is 3-methyl-5-(5-nitro-3-pyridinyl)pyridine.
What is the SMILES notation for 3-methyl-5-(5-nitro-3-pyridinyl)pyridine?
The canonical SMILES for 3-methyl-5-(5-nitro-3-pyridinyl)pyridine is Cc1cncc(-c2cncc([N+](=O)[O-])c2)c1.
What is the InChIKey of 3-methyl-5-(5-nitro-3-pyridinyl)pyridine?
The InChIKey is GVFUTVIPYGMVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c1-8-2-9(5-12-4-8)10-3-11(14(15)16)7-13-6-10/h2-7H,1H3.
What are the key properties of 3-methyl-5-(5-nitro-3-pyridinyl)pyridine?
3-methyl-5-(5-nitro-3-pyridinyl)pyridine has a molecular weight of 215.21 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(5-nitro-3-pyridinyl)pyridine is sourced from PubChem (CID 70542903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).