[2-[2-(2-methanimidoylphenyl)-3-pyridinyl]phenyl]methanimine

C19H15N3 — CID 87826913

IUPAC[2-[2-(2-methanimidoylphenyl)-3-pyridinyl]phenyl]methanimine
SMILES[H]/N=C\c1ccccc1-c1ncccc1-c1ccccc1/C=N/[H]
InChIInChI=1S/C19H15N3/c20-12-14-6-1-3-8-16(14)18-10-5-11-22-19(18)17-9-4-2-7-15(17)13-21/h1-13,20-21H/b20-12+,21-13-
InChIKeyUMIZKLDDHUKBSR-STLXZYOISA-N
MW285.35 g/mol
LogP4.41
Rot. Bonds4

About [2-[2-(2-methanimidoylphenyl)-3-pyridinyl]phenyl]methanimine

[2-[2-(2-methanimidoylphenyl)-3-pyridinyl]phenyl]methanimine (PubChem CID 87826913) has the molecular formula C19H15N3 and a molecular weight of 285.35 g/mol. Its IUPAC name is [2-[2-(2-methanimidoylphenyl)-3-pyridinyl]phenyl]methanimine.

Molecular Properties

Compound Name[2-[2-(2-methanimidoylphenyl)-3-pyridinyl]phenyl]methanimine
PubChem CID87826913
Molecular FormulaC19H15N3
Molecular Weight285.35 g/mol
Exact Mass285.13
IUPAC Name[2-[2-(2-methanimidoylphenyl)-3-pyridinyl]phenyl]methanimine
SMILES[H]/N=C\c1ccccc1-c1ncccc1-c1ccccc1/C=N/[H]
InChIInChI=1S/C19H15N3/c20-12-14-6-1-3-8-16(14)18-10-5-11-22-19(18)17-9-4-2-7-15(17)13-21/h1-13,20-21H/b20-12+,21-13-
InChIKeyUMIZKLDDHUKBSR-STLXZYOISA-N
XLogP4.41
TPSA60.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methanimidoylphenyl)-3-pyridinyl]phenyl]methanimine?
The IUPAC name of [2-[2-(2-methanimidoylphenyl)-3-pyridinyl]phenyl]methanimine (CID 87826913) is [2-[2-(2-methanimidoylphenyl)-3-pyridinyl]phenyl]methanimine.
What is the SMILES notation for [2-[2-(2-methanimidoylphenyl)-3-pyridinyl]phenyl]methanimine?
The canonical SMILES for [2-[2-(2-methanimidoylphenyl)-3-pyridinyl]phenyl]methanimine is [H]/N=C\c1ccccc1-c1ncccc1-c1ccccc1/C=N/[H].
What is the InChIKey of [2-[2-(2-methanimidoylphenyl)-3-pyridinyl]phenyl]methanimine?
The InChIKey is UMIZKLDDHUKBSR-STLXZYOISA-N. The full InChI is InChI=1S/C19H15N3/c20-12-14-6-1-3-8-16(14)18-10-5-11-22-19(18)17-9-4-2-7-15(17)13-21/h1-13,20-21H/b20-12+,21-13-.
What are the key properties of [2-[2-(2-methanimidoylphenyl)-3-pyridinyl]phenyl]methanimine?
[2-[2-(2-methanimidoylphenyl)-3-pyridinyl]phenyl]methanimine has a molecular weight of 285.35 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methanimidoylphenyl)-3-pyridinyl]phenyl]methanimine is sourced from PubChem (CID 87826913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).