4-methyl-5-nitro-2-pyridin-3-ylpyridine

C11H9N3O2 — CID 46316008

IUPAC4-methyl-5-nitro-2-pyridin-3-ylpyridine
SMILESCc1cc(-c2cccnc2)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H9N3O2/c1-8-5-10(9-3-2-4-12-6-9)13-7-11(8)14(15)16/h2-7H,1H3
InChIKeyWMRKLFBOOLQJKN-UHFFFAOYSA-N
MW215.21 g/mol
LogP2.36
Rot. Bonds2

About 4-methyl-5-nitro-2-pyridin-3-ylpyridine

4-methyl-5-nitro-2-pyridin-3-ylpyridine (PubChem CID 46316008) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 4-methyl-5-nitro-2-pyridin-3-ylpyridine.

Molecular Properties

Compound Name4-methyl-5-nitro-2-pyridin-3-ylpyridine
PubChem CID46316008
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name4-methyl-5-nitro-2-pyridin-3-ylpyridine
SMILESCc1cc(-c2cccnc2)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H9N3O2/c1-8-5-10(9-3-2-4-12-6-9)13-7-11(8)14(15)16/h2-7H,1H3
InChIKeyWMRKLFBOOLQJKN-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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-nitro-2-pyridin-3-ylpyridine?
The IUPAC name of 4-methyl-5-nitro-2-pyridin-3-ylpyridine (CID 46316008) is 4-methyl-5-nitro-2-pyridin-3-ylpyridine.
What is the SMILES notation for 4-methyl-5-nitro-2-pyridin-3-ylpyridine?
The canonical SMILES for 4-methyl-5-nitro-2-pyridin-3-ylpyridine is Cc1cc(-c2cccnc2)ncc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-5-nitro-2-pyridin-3-ylpyridine?
The InChIKey is WMRKLFBOOLQJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c1-8-5-10(9-3-2-4-12-6-9)13-7-11(8)14(15)16/h2-7H,1H3.
What are the key properties of 4-methyl-5-nitro-2-pyridin-3-ylpyridine?
4-methyl-5-nitro-2-pyridin-3-ylpyridine 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 4-methyl-5-nitro-2-pyridin-3-ylpyridine is sourced from PubChem (CID 46316008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).