4-(4-methylphenyl)-3-nitropyridine

C12H10N2O2 — CID 59113375

IUPAC4-(4-methylphenyl)-3-nitropyridine
SMILESCc1ccc(-c2ccncc2[N+](=O)[O-])cc1
InChIInChI=1S/C12H10N2O2/c1-9-2-4-10(5-3-9)11-6-7-13-8-12(11)14(15)16/h2-8H,1H3
InChIKeyVPOGUTKBMHFDTH-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.97
Rot. Bonds2

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

4-(4-methylphenyl)-3-nitropyridine (PubChem CID 59113375) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-(4-methylphenyl)-3-nitropyridine.

Molecular Properties

Compound Name4-(4-methylphenyl)-3-nitropyridine
PubChem CID59113375
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name4-(4-methylphenyl)-3-nitropyridine
SMILESCc1ccc(-c2ccncc2[N+](=O)[O-])cc1
InChIInChI=1S/C12H10N2O2/c1-9-2-4-10(5-3-9)11-6-7-13-8-12(11)14(15)16/h2-8H,1H3
InChIKeyVPOGUTKBMHFDTH-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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Related Compounds

3-(4-methylphenyl)-4-nitropyridine
CID 70804382
[3-methyl-5-(3-nitro-4-pyridinyl)phenyl]carbamic acid
CID 70982541
3-nitro-4-(3-nitrophenyl)pyridine
CID 26793007
N-(4-methylphenyl)-4-nitro-N-oxidopyridin-3-amine
CID 91620669
4-methyl-2-(4-methylphenyl)-1-nitrobenzene
CID 57163038
3-(3-nitro-4-pyridinyl)benzonitrile
CID 131871869
3-methyl-4-(2-nitrophenyl)pyridine
CID 603571
N-(4-methylbenzoyl)-3-nitropyridine-4-carboxamide
CID 54125573
4-fluoro-1-(4-methylphenyl)-2-nitrobenzene
CID 67753587
3-[(3-nitro-4-pyridinyl)sulfanyl]butan-1-ol
CID 66136072
N,N-dimethyl-3-nitropyridin-4-amine
CID 3760629
4-tert-butyl-3-nitropyridine
CID 59463874

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-3-nitropyridine?
The IUPAC name of 4-(4-methylphenyl)-3-nitropyridine (CID 59113375) is 4-(4-methylphenyl)-3-nitropyridine.
What is the SMILES notation for 4-(4-methylphenyl)-3-nitropyridine?
The canonical SMILES for 4-(4-methylphenyl)-3-nitropyridine is Cc1ccc(-c2ccncc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-(4-methylphenyl)-3-nitropyridine?
The InChIKey is VPOGUTKBMHFDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-9-2-4-10(5-3-9)11-6-7-13-8-12(11)14(15)16/h2-8H,1H3.
What are the key properties of 4-(4-methylphenyl)-3-nitropyridine?
4-(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 4-(4-methylphenyl)-3-nitropyridine is sourced from PubChem (CID 59113375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).