2-(3-nitrophenyl)pyridine-3,5-dicarbonitrile

C13H6N4O2 — CID 141046582

IUPAC2-(3-nitrophenyl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1cnc(-c2cccc([N+](=O)[O-])c2)c(C#N)c1
InChIInChI=1S/C13H6N4O2/c14-6-9-4-11(7-15)13(16-8-9)10-2-1-3-12(5-10)17(18)19/h1-5,8H
InChIKeyUPIVCENJWFHMRG-UHFFFAOYSA-N
MW250.22 g/mol
LogP2.40
Rot. Bonds2

About 2-(3-nitrophenyl)pyridine-3,5-dicarbonitrile

2-(3-nitrophenyl)pyridine-3,5-dicarbonitrile (PubChem CID 141046582) has the molecular formula C13H6N4O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 2-(3-nitrophenyl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-(3-nitrophenyl)pyridine-3,5-dicarbonitrile
PubChem CID141046582
Molecular FormulaC13H6N4O2
Molecular Weight250.22 g/mol
Exact Mass250.05
IUPAC Name2-(3-nitrophenyl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1cnc(-c2cccc([N+](=O)[O-])c2)c(C#N)c1
InChIInChI=1S/C13H6N4O2/c14-6-9-4-11(7-15)13(16-8-9)10-2-1-3-12(5-10)17(18)19/h1-5,8H
InChIKeyUPIVCENJWFHMRG-UHFFFAOYSA-N
XLogP2.40
TPSA103.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-chloro-5-(3-nitrophenyl)pyridine-3-carbonitrile
CID 68947176
2-hydroxy-4-(3-nitrophenyl)benzonitrile
CID 53219988
5-ethoxy-2-(3-nitrophenyl)pyridine-4-carbonitrile
CID 132589086
2,3-bis(3-nitrophenyl)quinoxaline
CID 71350595
4-(3-nitrophenyl)pyrimidine-5-carboxylic acid
CID 19900994
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
5-(2-methylphenyl)-4-(3-nitrophenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 4906718
2,6-dimethyl-4-(3-nitrophenyl)pyridine
CID 3016152
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
2-cyano-4-nitrophenolate
CID 15373227
3-(3-nitrophenyl)-1,2,4-oxadiazole
CID 2774286
2-(3,5-dinitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 21205474

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrophenyl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-(3-nitrophenyl)pyridine-3,5-dicarbonitrile (CID 141046582) is 2-(3-nitrophenyl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-(3-nitrophenyl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-(3-nitrophenyl)pyridine-3,5-dicarbonitrile is N#Cc1cnc(-c2cccc([N+](=O)[O-])c2)c(C#N)c1.
What is the InChIKey of 2-(3-nitrophenyl)pyridine-3,5-dicarbonitrile?
The InChIKey is UPIVCENJWFHMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6N4O2/c14-6-9-4-11(7-15)13(16-8-9)10-2-1-3-12(5-10)17(18)19/h1-5,8H.
What are the key properties of 2-(3-nitrophenyl)pyridine-3,5-dicarbonitrile?
2-(3-nitrophenyl)pyridine-3,5-dicarbonitrile has a molecular weight of 250.22 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenyl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 141046582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).