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

C12H9N3O2 — CID 692052

IUPAC1-(3-nitrophenyl)-N-pyridin-2-ylmethanimine
SMILESO=[N+]([O-])c1cccc(C=Nc2ccccn2)c1
InChIInChI=1S/C12H9N3O2/c16-15(17)11-5-3-4-10(8-11)9-14-12-6-1-2-7-13-12/h1-9H
InChIKeyUJDGGSJKGFHUBU-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.74
Rot. Bonds3

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

1-(3-nitrophenyl)-N-pyridin-2-ylmethanimine (PubChem CID 692052) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 1-(3-nitrophenyl)-N-pyridin-2-ylmethanimine.

Molecular Properties

Compound Name1-(3-nitrophenyl)-N-pyridin-2-ylmethanimine
PubChem CID692052
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name1-(3-nitrophenyl)-N-pyridin-2-ylmethanimine
SMILESO=[N+]([O-])c1cccc(C=Nc2ccccn2)c1
InChIInChI=1S/C12H9N3O2/c16-15(17)11-5-3-4-10(8-11)9-14-12-6-1-2-7-13-12/h1-9H
InChIKeyUJDGGSJKGFHUBU-UHFFFAOYSA-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

N-(2,6-dichlorophenyl)-1-(3-nitrophenyl)methanimine
CID 927284
2-bromo-4-nitro-6-(pyridin-2-yliminomethyl)phenolate
CID 7308082
cobalt(2+);bis(N-(2,4-dinitrophenyl)-1-(3-nitrophenyl)methanimine);chloride;hydroxide
CID 46196484
N-(2-fluoro-5-nitrophenyl)-1-(3-nitrophenyl)methanimine
CID 5105784
1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
5-nitro-N-[(3-nitrophenyl)methylideneamino]pyrimidin-2-amine
CID 171665795
5-[(E)-(3-nitrophenyl)methylideneamino]-1,3,4-thiadiazol-2-amine
CID 117059660
N-[(3-nitrophenyl)methylidene]benzenesulfonamide
CID 85437032
N-[(3-nitrophenyl)methylideneamino]-N-phenylaniline
CID 2850900
N-(2,4-difluorophenyl)-1-(3-nitrophenyl)methanimine
CID 122707231
4-[(3-nitrophenyl)methylideneamino]benzonitrile
CID 67289282
1-(3-nitrophenyl)-N-[8-[(3-nitrophenyl)methylideneamino]octyl]methanimine
CID 139068600

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitrophenyl)-N-pyridin-2-ylmethanimine?
The IUPAC name of 1-(3-nitrophenyl)-N-pyridin-2-ylmethanimine (CID 692052) is 1-(3-nitrophenyl)-N-pyridin-2-ylmethanimine.
What is the SMILES notation for 1-(3-nitrophenyl)-N-pyridin-2-ylmethanimine?
The canonical SMILES for 1-(3-nitrophenyl)-N-pyridin-2-ylmethanimine is O=[N+]([O-])c1cccc(C=Nc2ccccn2)c1.
What is the InChIKey of 1-(3-nitrophenyl)-N-pyridin-2-ylmethanimine?
The InChIKey is UJDGGSJKGFHUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c16-15(17)11-5-3-4-10(8-11)9-14-12-6-1-2-7-13-12/h1-9H.
What are the key properties of 1-(3-nitrophenyl)-N-pyridin-2-ylmethanimine?
1-(3-nitrophenyl)-N-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 1-(3-nitrophenyl)-N-pyridin-2-ylmethanimine is sourced from PubChem (CID 692052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).