2-phenylmethoxy-5-pyridin-4-ylbenzonitrile

C19H14N2O — CID 69398181

IUPAC2-phenylmethoxy-5-pyridin-4-ylbenzonitrile
SMILESN#Cc1cc(-c2ccncc2)ccc1OCc1ccccc1
InChIInChI=1S/C19H14N2O/c20-13-18-12-17(16-8-10-21-11-9-16)6-7-19(18)22-14-15-4-2-1-3-5-15/h1-12H,14H2
InChIKeyBKBZAAHDTAOXJG-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.20
Rot. Bonds4

About 2-phenylmethoxy-5-pyridin-4-ylbenzonitrile

2-phenylmethoxy-5-pyridin-4-ylbenzonitrile (PubChem CID 69398181) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-phenylmethoxy-5-pyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name2-phenylmethoxy-5-pyridin-4-ylbenzonitrile
PubChem CID69398181
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC Name2-phenylmethoxy-5-pyridin-4-ylbenzonitrile
SMILESN#Cc1cc(-c2ccncc2)ccc1OCc1ccccc1
InChIInChI=1S/C19H14N2O/c20-13-18-12-17(16-8-10-21-11-9-16)6-7-19(18)22-14-15-4-2-1-3-5-15/h1-12H,14H2
InChIKeyBKBZAAHDTAOXJG-UHFFFAOYSA-N
XLogP4.20
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-5-pyridin-4-ylbenzonitrile?
The IUPAC name of 2-phenylmethoxy-5-pyridin-4-ylbenzonitrile (CID 69398181) is 2-phenylmethoxy-5-pyridin-4-ylbenzonitrile.
What is the SMILES notation for 2-phenylmethoxy-5-pyridin-4-ylbenzonitrile?
The canonical SMILES for 2-phenylmethoxy-5-pyridin-4-ylbenzonitrile is N#Cc1cc(-c2ccncc2)ccc1OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxy-5-pyridin-4-ylbenzonitrile?
The InChIKey is BKBZAAHDTAOXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O/c20-13-18-12-17(16-8-10-21-11-9-16)6-7-19(18)22-14-15-4-2-1-3-5-15/h1-12H,14H2.
What are the key properties of 2-phenylmethoxy-5-pyridin-4-ylbenzonitrile?
2-phenylmethoxy-5-pyridin-4-ylbenzonitrile has a molecular weight of 286.33 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-5-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 69398181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).