3-phenylmethoxy-5-pyridin-3-ylpyridine

C17H14N2O — CID 42628229

IUPAC3-phenylmethoxy-5-pyridin-3-ylpyridine
SMILESc1ccc(COc2cncc(-c3cccnc3)c2)cc1
InChIInChI=1S/C17H14N2O/c1-2-5-14(6-3-1)13-20-17-9-16(11-19-12-17)15-7-4-8-18-10-15/h1-12H,13H2
InChIKeyTXLAGTUEPAYTPM-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.72
Rot. Bonds4

About 3-phenylmethoxy-5-pyridin-3-ylpyridine

3-phenylmethoxy-5-pyridin-3-ylpyridine (PubChem CID 42628229) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-phenylmethoxy-5-pyridin-3-ylpyridine.

Molecular Properties

Compound Name3-phenylmethoxy-5-pyridin-3-ylpyridine
PubChem CID42628229
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name3-phenylmethoxy-5-pyridin-3-ylpyridine
SMILESc1ccc(COc2cncc(-c3cccnc3)c2)cc1
InChIInChI=1S/C17H14N2O/c1-2-5-14(6-3-1)13-20-17-9-16(11-19-12-17)15-7-4-8-18-10-15/h1-12H,13H2
InChIKeyTXLAGTUEPAYTPM-UHFFFAOYSA-N
XLogP3.72
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-5-pyridin-3-ylpyridine?
The IUPAC name of 3-phenylmethoxy-5-pyridin-3-ylpyridine (CID 42628229) is 3-phenylmethoxy-5-pyridin-3-ylpyridine.
What is the SMILES notation for 3-phenylmethoxy-5-pyridin-3-ylpyridine?
The canonical SMILES for 3-phenylmethoxy-5-pyridin-3-ylpyridine is c1ccc(COc2cncc(-c3cccnc3)c2)cc1.
What is the InChIKey of 3-phenylmethoxy-5-pyridin-3-ylpyridine?
The InChIKey is TXLAGTUEPAYTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-2-5-14(6-3-1)13-20-17-9-16(11-19-12-17)15-7-4-8-18-10-15/h1-12H,13H2.
What are the key properties of 3-phenylmethoxy-5-pyridin-3-ylpyridine?
3-phenylmethoxy-5-pyridin-3-ylpyridine has a molecular weight of 262.31 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-5-pyridin-3-ylpyridine is sourced from PubChem (CID 42628229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).