3-methoxy-5-[(6-phenyl-3-pyridinyl)methyl]pyridine

C18H16N2O — CID 73347617

IUPAC3-methoxy-5-[(6-phenyl-3-pyridinyl)methyl]pyridine
SMILESCOc1cncc(Cc2ccc(-c3ccccc3)nc2)c1
InChIInChI=1S/C18H16N2O/c1-21-17-10-15(11-19-13-17)9-14-7-8-18(20-12-14)16-5-3-2-4-6-16/h2-8,10-13H,9H2,1H3
InChIKeyCMSQNLDQTGRNCM-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.74
Rot. Bonds4

About 3-methoxy-5-[(6-phenyl-3-pyridinyl)methyl]pyridine

3-methoxy-5-[(6-phenyl-3-pyridinyl)methyl]pyridine (PubChem CID 73347617) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-methoxy-5-[(6-phenyl-3-pyridinyl)methyl]pyridine.

Molecular Properties

Compound Name3-methoxy-5-[(6-phenyl-3-pyridinyl)methyl]pyridine
PubChem CID73347617
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name3-methoxy-5-[(6-phenyl-3-pyridinyl)methyl]pyridine
SMILESCOc1cncc(Cc2ccc(-c3ccccc3)nc2)c1
InChIInChI=1S/C18H16N2O/c1-21-17-10-15(11-19-13-17)9-14-7-8-18(20-12-14)16-5-3-2-4-6-16/h2-8,10-13H,9H2,1H3
InChIKeyCMSQNLDQTGRNCM-UHFFFAOYSA-N
XLogP3.74
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[(6-phenyl-3-pyridinyl)methyl]pyridine?
The IUPAC name of 3-methoxy-5-[(6-phenyl-3-pyridinyl)methyl]pyridine (CID 73347617) is 3-methoxy-5-[(6-phenyl-3-pyridinyl)methyl]pyridine.
What is the SMILES notation for 3-methoxy-5-[(6-phenyl-3-pyridinyl)methyl]pyridine?
The canonical SMILES for 3-methoxy-5-[(6-phenyl-3-pyridinyl)methyl]pyridine is COc1cncc(Cc2ccc(-c3ccccc3)nc2)c1.
What is the InChIKey of 3-methoxy-5-[(6-phenyl-3-pyridinyl)methyl]pyridine?
The InChIKey is CMSQNLDQTGRNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-21-17-10-15(11-19-13-17)9-14-7-8-18(20-12-14)16-5-3-2-4-6-16/h2-8,10-13H,9H2,1H3.
What are the key properties of 3-methoxy-5-[(6-phenyl-3-pyridinyl)methyl]pyridine?
3-methoxy-5-[(6-phenyl-3-pyridinyl)methyl]pyridine has a molecular weight of 276.34 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[(6-phenyl-3-pyridinyl)methyl]pyridine is sourced from PubChem (CID 73347617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).