N-(2-nitrophenyl)-1-pyridin-2-ylmethanimine

C12H9N3O2 — CID 13423752

IUPACN-(2-nitrophenyl)-1-pyridin-2-ylmethanimine
SMILESO=[N+]([O-])c1ccccc1/N=C/c1ccccn1
InChIInChI=1S/C12H9N3O2/c16-15(17)12-7-2-1-6-11(12)14-9-10-5-3-4-8-13-10/h1-9H/b14-9+
InChIKeySGKGRFIYAVQKRV-NTEUORMPSA-N
MW227.22 g/mol
LogP2.74
Rot. Bonds3

About N-(2-nitrophenyl)-1-pyridin-2-ylmethanimine

N-(2-nitrophenyl)-1-pyridin-2-ylmethanimine (PubChem CID 13423752) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is N-(2-nitrophenyl)-1-pyridin-2-ylmethanimine.

Molecular Properties

Compound NameN-(2-nitrophenyl)-1-pyridin-2-ylmethanimine
PubChem CID13423752
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC NameN-(2-nitrophenyl)-1-pyridin-2-ylmethanimine
SMILESO=[N+]([O-])c1ccccc1/N=C/c1ccccn1
InChIInChI=1S/C12H9N3O2/c16-15(17)12-7-2-1-6-11(12)14-9-10-5-3-4-8-13-10/h1-9H/b14-9+
InChIKeySGKGRFIYAVQKRV-NTEUORMPSA-N
XLogP2.74
TPSA68.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

manganese(3+);1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;diisothiocyanate
CID 11826597
bis(palladium(2+));1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;tetraacetate
CID 71620227
dioxidanium;copper;2-(pyridin-2-ylmethylideneamino)phenolate;bromide
CID 139147508
N-(2-nitrophenyl)-1-pyridin-3-ylmethanimine
CID 19173128
2-nitro-N-(pyridin-2-ylmethylideneamino)benzamide
CID 4263662
1-pyridin-2-yl-N-quinolin-8-ylmethanimine
CID 15764078
copper(1+);bis(N-(2-methylsulfanylphenyl)-1-pyridin-2-ylmethanimine)
CID 140660307
N-[4-[3,4-bis(pyridin-2-ylmethylideneamino)phenoxy]-2-(pyridin-2-ylmethylideneamino)phenyl]-1-pyridin-2-ylmethanimine
CID 4616068
N-[4-[[3,5-diethyl-4-(pyridin-2-ylmethylideneamino)phenyl]-(4-nitrophenyl)methyl]-2,6-diethylphenyl]-1-pyridin-2-ylmethanimine
CID 102025564
4-[(2-nitrophenyl)iminomethyl]benzonitrile
CID 11594011
dichlorozinc;1,1,3,3-tetramethyl-2-[2-(pyridin-2-ylmethylideneamino)phenyl]guanidine
CID 175684000
4-(pyridin-2-ylmethylideneamino)-3H-2-benzofuran-1-one
CID 67386670

Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenyl)-1-pyridin-2-ylmethanimine?
The IUPAC name of N-(2-nitrophenyl)-1-pyridin-2-ylmethanimine (CID 13423752) is N-(2-nitrophenyl)-1-pyridin-2-ylmethanimine.
What is the SMILES notation for N-(2-nitrophenyl)-1-pyridin-2-ylmethanimine?
The canonical SMILES for N-(2-nitrophenyl)-1-pyridin-2-ylmethanimine is O=[N+]([O-])c1ccccc1/N=C/c1ccccn1.
What is the InChIKey of N-(2-nitrophenyl)-1-pyridin-2-ylmethanimine?
The InChIKey is SGKGRFIYAVQKRV-NTEUORMPSA-N. The full InChI is InChI=1S/C12H9N3O2/c16-15(17)12-7-2-1-6-11(12)14-9-10-5-3-4-8-13-10/h1-9H/b14-9+.
What are the key properties of N-(2-nitrophenyl)-1-pyridin-2-ylmethanimine?
N-(2-nitrophenyl)-1-pyridin-2-ylmethanimine has a molecular weight of 227.22 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)-1-pyridin-2-ylmethanimine is sourced from PubChem (CID 13423752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).