3-naphthalen-1-ylpyridine-4-carbonitrile

C16H10N2 — CID 45123369

IUPAC3-naphthalen-1-ylpyridine-4-carbonitrile
SMILESN#Cc1ccncc1-c1cccc2ccccc12
InChIInChI=1S/C16H10N2/c17-10-13-8-9-18-11-16(13)15-7-3-5-12-4-1-2-6-14(12)15/h1-9,11H
InChIKeyJUZAZURXDNVQKX-UHFFFAOYSA-N
MW230.27 g/mol
LogP3.77
Rot. Bonds1

About 3-naphthalen-1-ylpyridine-4-carbonitrile

3-naphthalen-1-ylpyridine-4-carbonitrile (PubChem CID 45123369) has the molecular formula C16H10N2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-naphthalen-1-ylpyridine-4-carbonitrile.

Molecular Properties

Compound Name3-naphthalen-1-ylpyridine-4-carbonitrile
PubChem CID45123369
Molecular FormulaC16H10N2
Molecular Weight230.27 g/mol
Exact Mass230.08
IUPAC Name3-naphthalen-1-ylpyridine-4-carbonitrile
SMILESN#Cc1ccncc1-c1cccc2ccccc12
InChIInChI=1S/C16H10N2/c17-10-13-8-9-18-11-16(13)15-7-3-5-12-4-1-2-6-14(12)15/h1-9,11H
InChIKeyJUZAZURXDNVQKX-UHFFFAOYSA-N
XLogP3.77
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-ylpyridine-4-carbonitrile?
The IUPAC name of 3-naphthalen-1-ylpyridine-4-carbonitrile (CID 45123369) is 3-naphthalen-1-ylpyridine-4-carbonitrile.
What is the SMILES notation for 3-naphthalen-1-ylpyridine-4-carbonitrile?
The canonical SMILES for 3-naphthalen-1-ylpyridine-4-carbonitrile is N#Cc1ccncc1-c1cccc2ccccc12.
What is the InChIKey of 3-naphthalen-1-ylpyridine-4-carbonitrile?
The InChIKey is JUZAZURXDNVQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2/c17-10-13-8-9-18-11-16(13)15-7-3-5-12-4-1-2-6-14(12)15/h1-9,11H.
What are the key properties of 3-naphthalen-1-ylpyridine-4-carbonitrile?
3-naphthalen-1-ylpyridine-4-carbonitrile has a molecular weight of 230.27 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-ylpyridine-4-carbonitrile is sourced from PubChem (CID 45123369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).