1-[(4-nitrophenyl)methyl]pyridin-2-imine

C12H11N3O2 — CID 14146119

IUPAC1-[(4-nitrophenyl)methyl]pyridin-2-imine
SMILES[H]/N=c1\ccccn1Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H11N3O2/c13-12-3-1-2-8-14(12)9-10-4-6-11(7-5-10)15(16)17/h1-8,13H,9H2/b13-12+
InChIKeyIHBMFEJMJUQGIK-OUKQBFOZSA-N
MW229.24 g/mol
LogP1.92
Rot. Bonds3

About 1-[(4-nitrophenyl)methyl]pyridin-2-imine

1-[(4-nitrophenyl)methyl]pyridin-2-imine (PubChem CID 14146119) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 1-[(4-nitrophenyl)methyl]pyridin-2-imine.

Molecular Properties

Compound Name1-[(4-nitrophenyl)methyl]pyridin-2-imine
PubChem CID14146119
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name1-[(4-nitrophenyl)methyl]pyridin-2-imine
SMILES[H]/N=c1\ccccn1Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H11N3O2/c13-12-3-1-2-8-14(12)9-10-4-6-11(7-5-10)15(16)17/h1-8,13H,9H2/b13-12+
InChIKeyIHBMFEJMJUQGIK-OUKQBFOZSA-N
XLogP1.92
TPSA71.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-(4-nitrophenyl)ethyl]pyridin-2-one
CID 116618476
1-(dinitromethyl)pyridin-2-imine
CID 71411228
4-hydroxy-3-(2-methylphenyl)-1-[(4-nitrophenyl)methyl]imidazol-2-one
CID 90969522
1,4,7,10-tetrakis[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293980
1-[(4-nitrophenyl)methyl]-3-[(4-nitrophenyl)methylsulfanyl]indole
CID 23734789
2-[3-[(4-chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]-1-(4-nitrophenyl)ethanone;hydrobromide
CID 15944760
3-hydroxy-2-methyl-1-[(4-nitrophenyl)methyl]pyridine-4-thione
CID 162665662
1-benzyl-3-methyl-2-(4-nitrophenyl)pyrrole
CID 12677227
N-benzyl-N-[(1-benzylpyrrol-2-yl)methyl]-4-nitrobenzamide
CID 42763101
3-methyl-4-[(4-nitrophenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 115318365
1-[(4-nitrophenyl)methyl]indole-3-carbaldehyde
CID 883381
CID 86219799
CID 86219799

Frequently Asked Questions

What is the IUPAC name of 1-[(4-nitrophenyl)methyl]pyridin-2-imine?
The IUPAC name of 1-[(4-nitrophenyl)methyl]pyridin-2-imine (CID 14146119) is 1-[(4-nitrophenyl)methyl]pyridin-2-imine.
What is the SMILES notation for 1-[(4-nitrophenyl)methyl]pyridin-2-imine?
The canonical SMILES for 1-[(4-nitrophenyl)methyl]pyridin-2-imine is [H]/N=c1\ccccn1Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-[(4-nitrophenyl)methyl]pyridin-2-imine?
The InChIKey is IHBMFEJMJUQGIK-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H11N3O2/c13-12-3-1-2-8-14(12)9-10-4-6-11(7-5-10)15(16)17/h1-8,13H,9H2/b13-12+.
What are the key properties of 1-[(4-nitrophenyl)methyl]pyridin-2-imine?
1-[(4-nitrophenyl)methyl]pyridin-2-imine has a molecular weight of 229.24 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-nitrophenyl)methyl]pyridin-2-imine is sourced from PubChem (CID 14146119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).