N-(5-chloro-6-isocyano-3-pyridinyl)-1,1-diphenylmethanimine

C19H12ClN3 — CID 171466296

IUPACN-(5-chloro-6-isocyano-3-pyridinyl)-1,1-diphenylmethanimine
SMILES[C-]#[N+]c1ncc(N=C(c2ccccc2)c2ccccc2)cc1Cl
InChIInChI=1S/C19H12ClN3/c1-21-19-17(20)12-16(13-22-19)23-18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13H
InChIKeyAILQOQYFAHLTHW-UHFFFAOYSA-N
MW317.78 g/mol
LogP5.45
Rot. Bonds3

About N-(5-chloro-6-isocyano-3-pyridinyl)-1,1-diphenylmethanimine

N-(5-chloro-6-isocyano-3-pyridinyl)-1,1-diphenylmethanimine (PubChem CID 171466296) has the molecular formula C19H12ClN3 and a molecular weight of 317.78 g/mol. Its IUPAC name is N-(5-chloro-6-isocyano-3-pyridinyl)-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-(5-chloro-6-isocyano-3-pyridinyl)-1,1-diphenylmethanimine
PubChem CID171466296
Molecular FormulaC19H12ClN3
Molecular Weight317.78 g/mol
Exact Mass317.07
IUPAC NameN-(5-chloro-6-isocyano-3-pyridinyl)-1,1-diphenylmethanimine
SMILES[C-]#[N+]c1ncc(N=C(c2ccccc2)c2ccccc2)cc1Cl
InChIInChI=1S/C19H12ClN3/c1-21-19-17(20)12-16(13-22-19)23-18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13H
InChIKeyAILQOQYFAHLTHW-UHFFFAOYSA-N
XLogP5.45
TPSA29.61 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.78
LogP ≤ 55.45
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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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-6-isocyano-3-pyridinyl)-1,1-diphenylmethanimine?
The IUPAC name of N-(5-chloro-6-isocyano-3-pyridinyl)-1,1-diphenylmethanimine (CID 171466296) is N-(5-chloro-6-isocyano-3-pyridinyl)-1,1-diphenylmethanimine.
What is the SMILES notation for N-(5-chloro-6-isocyano-3-pyridinyl)-1,1-diphenylmethanimine?
The canonical SMILES for N-(5-chloro-6-isocyano-3-pyridinyl)-1,1-diphenylmethanimine is [C-]#[N+]c1ncc(N=C(c2ccccc2)c2ccccc2)cc1Cl.
What is the InChIKey of N-(5-chloro-6-isocyano-3-pyridinyl)-1,1-diphenylmethanimine?
The InChIKey is AILQOQYFAHLTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3/c1-21-19-17(20)12-16(13-22-19)23-18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13H.
What are the key properties of N-(5-chloro-6-isocyano-3-pyridinyl)-1,1-diphenylmethanimine?
N-(5-chloro-6-isocyano-3-pyridinyl)-1,1-diphenylmethanimine has a molecular weight of 317.78 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-6-isocyano-3-pyridinyl)-1,1-diphenylmethanimine is sourced from PubChem (CID 171466296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).