2-azido-4,5-diphenylpyridine-3-carbonitrile

C18H11N5 — CID 71400013

IUPAC2-azido-4,5-diphenylpyridine-3-carbonitrile
SMILESN#Cc1c(N=[N+]=[N-])ncc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H11N5/c19-11-15-17(14-9-5-2-6-10-14)16(12-21-18(15)22-23-20)13-7-3-1-4-8-13/h1-10,12H
InChIKeyKRNSUQAPHUXJLN-UHFFFAOYSA-N
MW297.32 g/mol
LogP5.23
Rot. Bonds3

About 2-azido-4,5-diphenylpyridine-3-carbonitrile

2-azido-4,5-diphenylpyridine-3-carbonitrile (PubChem CID 71400013) has the molecular formula C18H11N5 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-azido-4,5-diphenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-azido-4,5-diphenylpyridine-3-carbonitrile
PubChem CID71400013
Molecular FormulaC18H11N5
Molecular Weight297.32 g/mol
Exact Mass297.10
IUPAC Name2-azido-4,5-diphenylpyridine-3-carbonitrile
SMILESN#Cc1c(N=[N+]=[N-])ncc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H11N5/c19-11-15-17(14-9-5-2-6-10-14)16(12-21-18(15)22-23-20)13-7-3-1-4-8-13/h1-10,12H
InChIKeyKRNSUQAPHUXJLN-UHFFFAOYSA-N
XLogP5.23
TPSA85.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.32
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-azido-4,5-diphenylpyridine-3-carbonitrile?
The IUPAC name of 2-azido-4,5-diphenylpyridine-3-carbonitrile (CID 71400013) is 2-azido-4,5-diphenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-azido-4,5-diphenylpyridine-3-carbonitrile?
The canonical SMILES for 2-azido-4,5-diphenylpyridine-3-carbonitrile is N#Cc1c(N=[N+]=[N-])ncc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-azido-4,5-diphenylpyridine-3-carbonitrile?
The InChIKey is KRNSUQAPHUXJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N5/c19-11-15-17(14-9-5-2-6-10-14)16(12-21-18(15)22-23-20)13-7-3-1-4-8-13/h1-10,12H.
What are the key properties of 2-azido-4,5-diphenylpyridine-3-carbonitrile?
2-azido-4,5-diphenylpyridine-3-carbonitrile has a molecular weight of 297.32 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-4,5-diphenylpyridine-3-carbonitrile is sourced from PubChem (CID 71400013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).