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

C13H11N2- — CID 123856060

IUPACN-(phenylmethyl)-1-pyridin-2-ylmethanimine
SMILES[c-]1ccccc1C/N=C/c1ccccn1
InChIInChI=1S/C13H11N2/c1-2-6-12(7-3-1)10-14-11-13-8-4-5-9-15-13/h1-6,8-9,11H,10H2/q-1/b14-11+
InChIKeyXPDVUMFNZMLPHV-SDNWHVSQSA-N
MW195.24 g/mol
LogP2.50
Rot. Bonds3

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

N-(phenylmethyl)-1-pyridin-2-ylmethanimine (PubChem CID 123856060) has the molecular formula C13H11N2- and a molecular weight of 195.24 g/mol. Its IUPAC name is N-(phenylmethyl)-1-pyridin-2-ylmethanimine.

Molecular Properties

Compound NameN-(phenylmethyl)-1-pyridin-2-ylmethanimine
PubChem CID123856060
Molecular FormulaC13H11N2-
Molecular Weight195.24 g/mol
Exact Mass195.09
IUPAC NameN-(phenylmethyl)-1-pyridin-2-ylmethanimine
SMILES[c-]1ccccc1C/N=C/c1ccccn1
InChIInChI=1S/C13H11N2/c1-2-6-12(7-3-1)10-14-11-13-8-4-5-9-15-13/h1-6,8-9,11H,10H2/q-1/b14-11+
InChIKeyXPDVUMFNZMLPHV-SDNWHVSQSA-N
XLogP2.50
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(pyridin-2-ylmethylideneamino)propane-2-thiol
CID 71362573
N-propyl-1-pyridin-2-ylmethanimine
CID 11205848
ethane;1-phenyl-N-(pyridin-2-ylmethyl)methanimine
CID 91466095
N-(2-phenylethyl)-1-pyridin-2-ylmethanimine
CID 15790389
N-methyl-2-(pyridin-2-ylmethylideneamino)ethanamine
CID 101461429
iridium(3+);tris(2-(phenylmethyl)pyridine)
CID 58843926
cadmium(2+);2-(pyridin-2-ylmethylideneamino)-N,N-bis[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine;diperchlorate
CID 139071417
(1Z,5Z)-cycloocta-1,5-diene;N-ethyl-1-pyridin-2-ylmethanimine;rhodium;chloride
CID 6442081
2-[2-(pyridin-2-ylmethylideneamino)ethyliminomethyl]phenol
CID 136763146
N-methyl-N-[[2-[(pyridin-2-ylmethylideneamino)methyl]phenyl]methyl]pyridin-2-amine
CID 69493286
2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
1,1'-biphenyl;carbanide;cobalt;N-(2-phosphanylethyl)-1-pyridin-2-ylmethanimine
CID 158437244

Frequently Asked Questions

What is the IUPAC name of N-(phenylmethyl)-1-pyridin-2-ylmethanimine?
The IUPAC name of N-(phenylmethyl)-1-pyridin-2-ylmethanimine (CID 123856060) is N-(phenylmethyl)-1-pyridin-2-ylmethanimine.
What is the SMILES notation for N-(phenylmethyl)-1-pyridin-2-ylmethanimine?
The canonical SMILES for N-(phenylmethyl)-1-pyridin-2-ylmethanimine is [c-]1ccccc1C/N=C/c1ccccn1.
What is the InChIKey of N-(phenylmethyl)-1-pyridin-2-ylmethanimine?
The InChIKey is XPDVUMFNZMLPHV-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H11N2/c1-2-6-12(7-3-1)10-14-11-13-8-4-5-9-15-13/h1-6,8-9,11H,10H2/q-1/b14-11+.
What are the key properties of N-(phenylmethyl)-1-pyridin-2-ylmethanimine?
N-(phenylmethyl)-1-pyridin-2-ylmethanimine has a molecular weight of 195.24 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(phenylmethyl)-1-pyridin-2-ylmethanimine is sourced from PubChem (CID 123856060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).