3-[3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine

C23H19NO — CID 25130848

IUPAC3-[3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine
SMILESCOc1ccc(Cc2cc3ccccc3cc2-c2cccnc2)cc1
InChIInChI=1S/C23H19NO/c1-25-22-10-8-17(9-11-22)13-21-14-18-5-2-3-6-19(18)15-23(21)20-7-4-12-24-16-20/h2-12,14-16H,13H2,1H3
InChIKeyGOGQHVZGANJJDF-UHFFFAOYSA-N
MW325.41 g/mol
LogP5.50
Rot. Bonds4

About 3-[3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine

3-[3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine (PubChem CID 25130848) has the molecular formula C23H19NO and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine.

Molecular Properties

Compound Name3-[3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine
PubChem CID25130848
Molecular FormulaC23H19NO
Molecular Weight325.41 g/mol
Exact Mass325.15
IUPAC Name3-[3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine
SMILESCOc1ccc(Cc2cc3ccccc3cc2-c2cccnc2)cc1
InChIInChI=1S/C23H19NO/c1-25-22-10-8-17(9-11-22)13-21-14-18-5-2-3-6-19(18)15-23(21)20-7-4-12-24-16-20/h2-12,14-16H,13H2,1H3
InChIKeyGOGQHVZGANJJDF-UHFFFAOYSA-N
XLogP5.50
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.41
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine?
The IUPAC name of 3-[3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine (CID 25130848) is 3-[3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine.
What is the SMILES notation for 3-[3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine?
The canonical SMILES for 3-[3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine is COc1ccc(Cc2cc3ccccc3cc2-c2cccnc2)cc1.
What is the InChIKey of 3-[3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine?
The InChIKey is GOGQHVZGANJJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO/c1-25-22-10-8-17(9-11-22)13-21-14-18-5-2-3-6-19(18)15-23(21)20-7-4-12-24-16-20/h2-12,14-16H,13H2,1H3.
What are the key properties of 3-[3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine?
3-[3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine has a molecular weight of 325.41 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine is sourced from PubChem (CID 25130848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).