5-methyl-2-nitropyridine-4-carbonitrile

C7H5N3O2 — CID 130882293

IUPAC5-methyl-2-nitropyridine-4-carbonitrile
SMILESCc1cnc([N+](=O)[O-])cc1C#N
InChIInChI=1S/C7H5N3O2/c1-5-4-9-7(10(11)12)2-6(5)3-8/h2,4H,1H3
InChIKeyHPYINYFRMQCWDW-UHFFFAOYSA-N
MW163.14 g/mol
LogP1.17
Rot. Bonds1

About 5-methyl-2-nitropyridine-4-carbonitrile

5-methyl-2-nitropyridine-4-carbonitrile (PubChem CID 130882293) has the molecular formula C7H5N3O2 and a molecular weight of 163.14 g/mol. Its IUPAC name is 5-methyl-2-nitropyridine-4-carbonitrile.

Molecular Properties

Compound Name5-methyl-2-nitropyridine-4-carbonitrile
PubChem CID130882293
Molecular FormulaC7H5N3O2
Molecular Weight163.14 g/mol
Exact Mass163.04
IUPAC Name5-methyl-2-nitropyridine-4-carbonitrile
SMILESCc1cnc([N+](=O)[O-])cc1C#N
InChIInChI=1S/C7H5N3O2/c1-5-4-9-7(10(11)12)2-6(5)3-8/h2,4H,1H3
InChIKeyHPYINYFRMQCWDW-UHFFFAOYSA-N
XLogP1.17
TPSA79.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 51.17
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

5-bromo-2-nitropyridine-4-carbonitrile
CID 130822879
5-(difluoromethyl)-2-nitropyridine-4-carbonitrile
CID 118805197
6-nitro-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 133097382
5-chloro-4-methyl-2-nitropyridine
CID 77230639
2-fluoro-5-methylpyridine-4-carbonitrile
CID 130133304
5-chloro-2-(6-nitro-3-pyridinyl)benzonitrile
CID 139893416
2-(3,5-dimethylpyrazol-1-yl)-5-nitropyridine-3-carbonitrile
CID 63810217
2-hydroxy-3-methyl-5-nitrobenzonitrile
CID 21255657
2-fluoro-4-methyl-5-nitrobenzonitrile
CID 59089198
2-bromo-5-nitropyridine-4-carbonitrile
CID 119024945
2-[4-(difluoromethyl)-6-nitro-3-pyridinyl]acetonitrile
CID 118835055
1-(5-methyl-4-nitro-2-pyridinyl)pyrrole-2-carbonitrile
CID 114653217

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-nitropyridine-4-carbonitrile?
The IUPAC name of 5-methyl-2-nitropyridine-4-carbonitrile (CID 130882293) is 5-methyl-2-nitropyridine-4-carbonitrile.
What is the SMILES notation for 5-methyl-2-nitropyridine-4-carbonitrile?
The canonical SMILES for 5-methyl-2-nitropyridine-4-carbonitrile is Cc1cnc([N+](=O)[O-])cc1C#N.
What is the InChIKey of 5-methyl-2-nitropyridine-4-carbonitrile?
The InChIKey is HPYINYFRMQCWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2/c1-5-4-9-7(10(11)12)2-6(5)3-8/h2,4H,1H3.
What are the key properties of 5-methyl-2-nitropyridine-4-carbonitrile?
5-methyl-2-nitropyridine-4-carbonitrile has a molecular weight of 163.14 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-nitropyridine-4-carbonitrile is sourced from PubChem (CID 130882293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).