3-methyl-4-naphthalen-1-ylpyridine

C16H13N — CID 12872900

IUPAC3-methyl-4-naphthalen-1-ylpyridine
SMILESCc1cnccc1-c1cccc2ccccc12
InChIInChI=1S/C16H13N/c1-12-11-17-10-9-14(12)16-8-4-6-13-5-2-3-7-15(13)16/h2-11H,1H3
InChIKeyCZERESFQIUKIPQ-UHFFFAOYSA-N
MW219.29 g/mol
LogP4.21
Rot. Bonds1

About 3-methyl-4-naphthalen-1-ylpyridine

3-methyl-4-naphthalen-1-ylpyridine (PubChem CID 12872900) has the molecular formula C16H13N and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-methyl-4-naphthalen-1-ylpyridine.

Molecular Properties

Compound Name3-methyl-4-naphthalen-1-ylpyridine
PubChem CID12872900
Molecular FormulaC16H13N
Molecular Weight219.29 g/mol
Exact Mass219.10
IUPAC Name3-methyl-4-naphthalen-1-ylpyridine
SMILESCc1cnccc1-c1cccc2ccccc12
InChIInChI=1S/C16H13N/c1-12-11-17-10-9-14(12)16-8-4-6-13-5-2-3-7-15(13)16/h2-11H,1H3
InChIKeyCZERESFQIUKIPQ-UHFFFAOYSA-N
XLogP4.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-naphthalen-1-ylpyridine?
The IUPAC name of 3-methyl-4-naphthalen-1-ylpyridine (CID 12872900) is 3-methyl-4-naphthalen-1-ylpyridine.
What is the SMILES notation for 3-methyl-4-naphthalen-1-ylpyridine?
The canonical SMILES for 3-methyl-4-naphthalen-1-ylpyridine is Cc1cnccc1-c1cccc2ccccc12.
What is the InChIKey of 3-methyl-4-naphthalen-1-ylpyridine?
The InChIKey is CZERESFQIUKIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N/c1-12-11-17-10-9-14(12)16-8-4-6-13-5-2-3-7-15(13)16/h2-11H,1H3.
What are the key properties of 3-methyl-4-naphthalen-1-ylpyridine?
3-methyl-4-naphthalen-1-ylpyridine has a molecular weight of 219.29 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-naphthalen-1-ylpyridine is sourced from PubChem (CID 12872900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).