4-azido-2-phenylmethoxybenzonitrile

C14H10N4O — CID 150250113

IUPAC4-azido-2-phenylmethoxybenzonitrile
SMILESN#Cc1ccc(N=[N+]=[N-])cc1OCc1ccccc1
InChIInChI=1S/C14H10N4O/c15-9-12-6-7-13(17-18-16)8-14(12)19-10-11-4-2-1-3-5-11/h1-8H,10H2
InChIKeyFZIZBBSXMOMRNN-UHFFFAOYSA-N
MW250.26 g/mol
LogP4.08
Rot. Bonds4

About 4-azido-2-phenylmethoxybenzonitrile

4-azido-2-phenylmethoxybenzonitrile (PubChem CID 150250113) has the molecular formula C14H10N4O and a molecular weight of 250.26 g/mol. Its IUPAC name is 4-azido-2-phenylmethoxybenzonitrile.

Molecular Properties

Compound Name4-azido-2-phenylmethoxybenzonitrile
PubChem CID150250113
Molecular FormulaC14H10N4O
Molecular Weight250.26 g/mol
Exact Mass250.09
IUPAC Name4-azido-2-phenylmethoxybenzonitrile
SMILESN#Cc1ccc(N=[N+]=[N-])cc1OCc1ccccc1
InChIInChI=1S/C14H10N4O/c15-9-12-6-7-13(17-18-16)8-14(12)19-10-11-4-2-1-3-5-11/h1-8H,10H2
InChIKeyFZIZBBSXMOMRNN-UHFFFAOYSA-N
XLogP4.08
TPSA81.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 54.08
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 4-azido-2-phenylmethoxybenzonitrile?
The IUPAC name of 4-azido-2-phenylmethoxybenzonitrile (CID 150250113) is 4-azido-2-phenylmethoxybenzonitrile.
What is the SMILES notation for 4-azido-2-phenylmethoxybenzonitrile?
The canonical SMILES for 4-azido-2-phenylmethoxybenzonitrile is N#Cc1ccc(N=[N+]=[N-])cc1OCc1ccccc1.
What is the InChIKey of 4-azido-2-phenylmethoxybenzonitrile?
The InChIKey is FZIZBBSXMOMRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O/c15-9-12-6-7-13(17-18-16)8-14(12)19-10-11-4-2-1-3-5-11/h1-8H,10H2.
What are the key properties of 4-azido-2-phenylmethoxybenzonitrile?
4-azido-2-phenylmethoxybenzonitrile has a molecular weight of 250.26 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-2-phenylmethoxybenzonitrile is sourced from PubChem (CID 150250113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).