3-methyl-4-nitro-5-phenylpyridine

C12H10N2O2 — CID 133095647

IUPAC3-methyl-4-nitro-5-phenylpyridine
SMILESCc1cncc(-c2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C12H10N2O2/c1-9-7-13-8-11(12(9)14(15)16)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyMULCUWKJVDNISQ-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.97
Rot. Bonds2

About 3-methyl-4-nitro-5-phenylpyridine

3-methyl-4-nitro-5-phenylpyridine (PubChem CID 133095647) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-methyl-4-nitro-5-phenylpyridine.

Molecular Properties

Compound Name3-methyl-4-nitro-5-phenylpyridine
PubChem CID133095647
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name3-methyl-4-nitro-5-phenylpyridine
SMILESCc1cncc(-c2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C12H10N2O2/c1-9-7-13-8-11(12(9)14(15)16)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyMULCUWKJVDNISQ-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-methyl-4-nitro-5-phenylphenol
CID 45098061
3-methyl-5-nitro-2-(2-phenylphenyl)pyridine
CID 86690158
3-nitro-4-phenylthiophene-2-thiol
CID 175561245
4-nitro-2,5-diphenylpyridine
CID 56647199
1-methyl-3-nitro-2-phenylbenzene
CID 12733092
3-methyl-4-(2-nitrophenyl)pyridine
CID 603571
1-(2-nitro-3-phenylphenyl)ethanone
CID 67871724
3-[3-[4-[3,5-bis(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-5-(4-methyl-3-pyridinyl)phenyl]-4-methylpyridine
CID 59609405
1-nitro-2-phenylbenzene;pyridine
CID 174774599
3-bromo-4-methyl-5-phenylpyridine
CID 90710455
1,4-dimethyl-2,3-dinitrobenzene
CID 3916406
2-methyl-8-nitro-7-phenylquinolin-5-ol
CID 164678497

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-nitro-5-phenylpyridine?
The IUPAC name of 3-methyl-4-nitro-5-phenylpyridine (CID 133095647) is 3-methyl-4-nitro-5-phenylpyridine.
What is the SMILES notation for 3-methyl-4-nitro-5-phenylpyridine?
The canonical SMILES for 3-methyl-4-nitro-5-phenylpyridine is Cc1cncc(-c2ccccc2)c1[N+](=O)[O-].
What is the InChIKey of 3-methyl-4-nitro-5-phenylpyridine?
The InChIKey is MULCUWKJVDNISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-9-7-13-8-11(12(9)14(15)16)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 3-methyl-4-nitro-5-phenylpyridine?
3-methyl-4-nitro-5-phenylpyridine 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 3-methyl-4-nitro-5-phenylpyridine is sourced from PubChem (CID 133095647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).