3-(6-methoxynaphthalen-2-yl)-5-phenylpyridine

C22H17NO — CID 25034426

IUPAC3-(6-methoxynaphthalen-2-yl)-5-phenylpyridine
SMILESCOc1ccc2cc(-c3cncc(-c4ccccc4)c3)ccc2c1
InChIInChI=1S/C22H17NO/c1-24-22-10-9-17-11-18(7-8-19(17)13-22)21-12-20(14-23-15-21)16-5-3-2-4-6-16/h2-15H,1H3
InChIKeySQTORKYTOSOTPB-UHFFFAOYSA-N
MW311.38 g/mol
LogP5.58
Rot. Bonds3

About 3-(6-methoxynaphthalen-2-yl)-5-phenylpyridine

3-(6-methoxynaphthalen-2-yl)-5-phenylpyridine (PubChem CID 25034426) has the molecular formula C22H17NO and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-(6-methoxynaphthalen-2-yl)-5-phenylpyridine.

Molecular Properties

Compound Name3-(6-methoxynaphthalen-2-yl)-5-phenylpyridine
PubChem CID25034426
Molecular FormulaC22H17NO
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC Name3-(6-methoxynaphthalen-2-yl)-5-phenylpyridine
SMILESCOc1ccc2cc(-c3cncc(-c4ccccc4)c3)ccc2c1
InChIInChI=1S/C22H17NO/c1-24-22-10-9-17-11-18(7-8-19(17)13-22)21-12-20(14-23-15-21)16-5-3-2-4-6-16/h2-15H,1H3
InChIKeySQTORKYTOSOTPB-UHFFFAOYSA-N
XLogP5.58
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.38
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxynaphthalen-2-yl)-5-phenylpyridine?
The IUPAC name of 3-(6-methoxynaphthalen-2-yl)-5-phenylpyridine (CID 25034426) is 3-(6-methoxynaphthalen-2-yl)-5-phenylpyridine.
What is the SMILES notation for 3-(6-methoxynaphthalen-2-yl)-5-phenylpyridine?
The canonical SMILES for 3-(6-methoxynaphthalen-2-yl)-5-phenylpyridine is COc1ccc2cc(-c3cncc(-c4ccccc4)c3)ccc2c1.
What is the InChIKey of 3-(6-methoxynaphthalen-2-yl)-5-phenylpyridine?
The InChIKey is SQTORKYTOSOTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO/c1-24-22-10-9-17-11-18(7-8-19(17)13-22)21-12-20(14-23-15-21)16-5-3-2-4-6-16/h2-15H,1H3.
What are the key properties of 3-(6-methoxynaphthalen-2-yl)-5-phenylpyridine?
3-(6-methoxynaphthalen-2-yl)-5-phenylpyridine has a molecular weight of 311.38 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxynaphthalen-2-yl)-5-phenylpyridine is sourced from PubChem (CID 25034426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).