4-nitro-2-phenyl-6-prop-1-en-2-ylpyridine

C14H12N2O2 — CID 155682215

IUPAC4-nitro-2-phenyl-6-prop-1-en-2-ylpyridine
SMILESC=C(C)c1cc([N+](=O)[O-])cc(-c2ccccc2)n1
InChIInChI=1S/C14H12N2O2/c1-10(2)13-8-12(16(17)18)9-14(15-13)11-6-4-3-5-7-11/h3-9H,1H2,2H3
InChIKeyCVNQQBILGJGPOA-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.69
Rot. Bonds3

About 4-nitro-2-phenyl-6-prop-1-en-2-ylpyridine

4-nitro-2-phenyl-6-prop-1-en-2-ylpyridine (PubChem CID 155682215) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-nitro-2-phenyl-6-prop-1-en-2-ylpyridine.

Molecular Properties

Compound Name4-nitro-2-phenyl-6-prop-1-en-2-ylpyridine
PubChem CID155682215
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name4-nitro-2-phenyl-6-prop-1-en-2-ylpyridine
SMILESC=C(C)c1cc([N+](=O)[O-])cc(-c2ccccc2)n1
InChIInChI=1S/C14H12N2O2/c1-10(2)13-8-12(16(17)18)9-14(15-13)11-6-4-3-5-7-11/h3-9H,1H2,2H3
InChIKeyCVNQQBILGJGPOA-UHFFFAOYSA-N
XLogP3.69
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.69
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

4-(4-nitrophenyl)-2,6-diphenylpyridine
CID 631783
3-methoxy-2-(3-nitrophenyl)-6-phenylpyridine
CID 11077630
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
2,6-bis(3-fluorophenyl)-4-nitropyridine
CID 46313659
7-nitro-3-phenylisoquinoline
CID 102237044
2-(4-methoxyphenyl)-6-nitro-4-phenylquinoline
CID 632059
S-(4-phenylpyrimidin-2-yl) 3,5-dinitrobenzenecarbothioate
CID 71900145
6-nitro-2-[3-(6-nitro-4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline
CID 10650785
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
formic acid;1-nitro-3-phenylbenzene
CID 158057338
3-(3,5-dinitrophenyl)-5-phenyl-1H-1,2,4-triazole
CID 3089181
6-nitro-3-phenyl-1,2,4-benzotriazine
CID 71332130

Frequently Asked Questions

What is the IUPAC name of 4-nitro-2-phenyl-6-prop-1-en-2-ylpyridine?
The IUPAC name of 4-nitro-2-phenyl-6-prop-1-en-2-ylpyridine (CID 155682215) is 4-nitro-2-phenyl-6-prop-1-en-2-ylpyridine.
What is the SMILES notation for 4-nitro-2-phenyl-6-prop-1-en-2-ylpyridine?
The canonical SMILES for 4-nitro-2-phenyl-6-prop-1-en-2-ylpyridine is C=C(C)c1cc([N+](=O)[O-])cc(-c2ccccc2)n1.
What is the InChIKey of 4-nitro-2-phenyl-6-prop-1-en-2-ylpyridine?
The InChIKey is CVNQQBILGJGPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-10(2)13-8-12(16(17)18)9-14(15-13)11-6-4-3-5-7-11/h3-9H,1H2,2H3.
What are the key properties of 4-nitro-2-phenyl-6-prop-1-en-2-ylpyridine?
4-nitro-2-phenyl-6-prop-1-en-2-ylpyridine has a molecular weight of 240.26 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-2-phenyl-6-prop-1-en-2-ylpyridine is sourced from PubChem (CID 155682215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).