2-(3-nitrophenyl)-1,4-dihydropyridine

C11H10N2O2 — CID 70091658

IUPAC2-(3-nitrophenyl)-1,4-dihydropyridine
SMILESO=[N+]([O-])c1cccc(C2=CCC=CN2)c1
InChIInChI=1S/C11H10N2O2/c14-13(15)10-5-3-4-9(8-10)11-6-1-2-7-12-11/h2-8,12H,1H2
InChIKeyYPPFJUTUWUYLSU-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.44
Rot. Bonds2

About 2-(3-nitrophenyl)-1,4-dihydropyridine

2-(3-nitrophenyl)-1,4-dihydropyridine (PubChem CID 70091658) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-(3-nitrophenyl)-1,4-dihydropyridine.

Molecular Properties

Compound Name2-(3-nitrophenyl)-1,4-dihydropyridine
PubChem CID70091658
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2-(3-nitrophenyl)-1,4-dihydropyridine
SMILESO=[N+]([O-])c1cccc(C2=CCC=CN2)c1
InChIInChI=1S/C11H10N2O2/c14-13(15)10-5-3-4-9(8-10)11-6-1-2-7-12-11/h2-8,12H,1H2
InChIKeyYPPFJUTUWUYLSU-UHFFFAOYSA-N
XLogP2.44
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.44
H-Bond Donors ≤ 51
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

1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
3-(3-nitrophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57122266
5-(3-nitrophenyl)-2,3-dihydro-1H-isoindole
CID 135218133
formic acid;1-nitro-3-phenylbenzene
CID 158057338
2-(3-nitrophenyl)-4,5-dihydro-1H-imidazol-3-ium chloride
CID 44669927
2-fluoro-1-methyl-4-(3-nitrophenyl)benzene
CID 70699657
1-methyl-3-nitrobenzene
CID 7422
3-(3-nitrophenyl)-4-sulfanylcyclobut-3-ene-1,2-dithione
CID 59349704
5-(3-nitrophenyl)-1,3-benzodioxole
CID 71197366
1-(3-nitrophenyl)piperazine
CID 2760216
1-(3-nitrophenyl)azetidine
CID 58663764

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrophenyl)-1,4-dihydropyridine?
The IUPAC name of 2-(3-nitrophenyl)-1,4-dihydropyridine (CID 70091658) is 2-(3-nitrophenyl)-1,4-dihydropyridine.
What is the SMILES notation for 2-(3-nitrophenyl)-1,4-dihydropyridine?
The canonical SMILES for 2-(3-nitrophenyl)-1,4-dihydropyridine is O=[N+]([O-])c1cccc(C2=CCC=CN2)c1.
What is the InChIKey of 2-(3-nitrophenyl)-1,4-dihydropyridine?
The InChIKey is YPPFJUTUWUYLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-13(15)10-5-3-4-9(8-10)11-6-1-2-7-12-11/h2-8,12H,1H2.
What are the key properties of 2-(3-nitrophenyl)-1,4-dihydropyridine?
2-(3-nitrophenyl)-1,4-dihydropyridine has a molecular weight of 202.21 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenyl)-1,4-dihydropyridine is sourced from PubChem (CID 70091658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).