3-phenylmethoxypyridine

C12H11NO — CID 10012635

IUPAC3-phenylmethoxypyridine
SMILESc1ccc(COc2cccnc2)cc1
InChIInChI=1S/C12H11NO/c1-2-5-11(6-3-1)10-14-12-7-4-8-13-9-12/h1-9H,10H2
InChIKeyLLWFWIZOFFLRKC-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.66
Rot. Bonds3

About 3-phenylmethoxypyridine

3-phenylmethoxypyridine (PubChem CID 10012635) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 3-phenylmethoxypyridine.

Molecular Properties

Compound Name3-phenylmethoxypyridine
PubChem CID10012635
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name3-phenylmethoxypyridine
SMILESc1ccc(COc2cccnc2)cc1
InChIInChI=1S/C12H11NO/c1-2-5-11(6-3-1)10-14-12-7-4-8-13-9-12/h1-9H,10H2
InChIKeyLLWFWIZOFFLRKC-UHFFFAOYSA-N
XLogP2.66
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxypyridine?
The IUPAC name of 3-phenylmethoxypyridine (CID 10012635) is 3-phenylmethoxypyridine.
What is the SMILES notation for 3-phenylmethoxypyridine?
The canonical SMILES for 3-phenylmethoxypyridine is c1ccc(COc2cccnc2)cc1.
What is the InChIKey of 3-phenylmethoxypyridine?
The InChIKey is LLWFWIZOFFLRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-2-5-11(6-3-1)10-14-12-7-4-8-13-9-12/h1-9H,10H2.
What are the key properties of 3-phenylmethoxypyridine?
3-phenylmethoxypyridine has a molecular weight of 185.23 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxypyridine is sourced from PubChem (CID 10012635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).