N-(2-nitrophenyl)-1-pyridin-3-ylmethanimine

C12H9N3O2 — CID 19173128

IUPACN-(2-nitrophenyl)-1-pyridin-3-ylmethanimine
SMILESO=[N+]([O-])c1ccccc1/N=C/c1cccnc1
InChIInChI=1S/C12H9N3O2/c16-15(17)12-6-2-1-5-11(12)14-9-10-4-3-7-13-8-10/h1-9H/b14-9+
InChIKeyRQFSEXLBQHDMFE-NTEUORMPSA-N
MW227.22 g/mol
LogP2.74
Rot. Bonds3

About N-(2-nitrophenyl)-1-pyridin-3-ylmethanimine

N-(2-nitrophenyl)-1-pyridin-3-ylmethanimine (PubChem CID 19173128) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is N-(2-nitrophenyl)-1-pyridin-3-ylmethanimine.

Molecular Properties

Compound NameN-(2-nitrophenyl)-1-pyridin-3-ylmethanimine
PubChem CID19173128
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC NameN-(2-nitrophenyl)-1-pyridin-3-ylmethanimine
SMILESO=[N+]([O-])c1ccccc1/N=C/c1cccnc1
InChIInChI=1S/C12H9N3O2/c16-15(17)12-6-2-1-5-11(12)14-9-10-4-3-7-13-8-10/h1-9H/b14-9+
InChIKeyRQFSEXLBQHDMFE-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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Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenyl)-1-pyridin-3-ylmethanimine?
The IUPAC name of N-(2-nitrophenyl)-1-pyridin-3-ylmethanimine (CID 19173128) is N-(2-nitrophenyl)-1-pyridin-3-ylmethanimine.
What is the SMILES notation for N-(2-nitrophenyl)-1-pyridin-3-ylmethanimine?
The canonical SMILES for N-(2-nitrophenyl)-1-pyridin-3-ylmethanimine is O=[N+]([O-])c1ccccc1/N=C/c1cccnc1.
What is the InChIKey of N-(2-nitrophenyl)-1-pyridin-3-ylmethanimine?
The InChIKey is RQFSEXLBQHDMFE-NTEUORMPSA-N. The full InChI is InChI=1S/C12H9N3O2/c16-15(17)12-6-2-1-5-11(12)14-9-10-4-3-7-13-8-10/h1-9H/b14-9+.
What are the key properties of N-(2-nitrophenyl)-1-pyridin-3-ylmethanimine?
N-(2-nitrophenyl)-1-pyridin-3-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-3-ylmethanimine is sourced from PubChem (CID 19173128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).