6-pyridin-3-ylnaphthalene-2-carbonitrile

C16H10N2 — CID 11601068

IUPAC6-pyridin-3-ylnaphthalene-2-carbonitrile
SMILESN#Cc1ccc2cc(-c3cccnc3)ccc2c1
InChIInChI=1S/C16H10N2/c17-10-12-3-4-14-9-15(6-5-13(14)8-12)16-2-1-7-18-11-16/h1-9,11H
InChIKeyBRNSTMOAGOETDI-UHFFFAOYSA-N
MW230.27 g/mol
LogP3.77
Rot. Bonds1

About 6-pyridin-3-ylnaphthalene-2-carbonitrile

6-pyridin-3-ylnaphthalene-2-carbonitrile (PubChem CID 11601068) has the molecular formula C16H10N2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 6-pyridin-3-ylnaphthalene-2-carbonitrile.

Molecular Properties

Compound Name6-pyridin-3-ylnaphthalene-2-carbonitrile
PubChem CID11601068
Molecular FormulaC16H10N2
Molecular Weight230.27 g/mol
Exact Mass230.08
IUPAC Name6-pyridin-3-ylnaphthalene-2-carbonitrile
SMILESN#Cc1ccc2cc(-c3cccnc3)ccc2c1
InChIInChI=1S/C16H10N2/c17-10-12-3-4-14-9-15(6-5-13(14)8-12)16-2-1-7-18-11-16/h1-9,11H
InChIKeyBRNSTMOAGOETDI-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 6-pyridin-3-ylnaphthalene-2-carbonitrile?
The IUPAC name of 6-pyridin-3-ylnaphthalene-2-carbonitrile (CID 11601068) is 6-pyridin-3-ylnaphthalene-2-carbonitrile.
What is the SMILES notation for 6-pyridin-3-ylnaphthalene-2-carbonitrile?
The canonical SMILES for 6-pyridin-3-ylnaphthalene-2-carbonitrile is N#Cc1ccc2cc(-c3cccnc3)ccc2c1.
What is the InChIKey of 6-pyridin-3-ylnaphthalene-2-carbonitrile?
The InChIKey is BRNSTMOAGOETDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2/c17-10-12-3-4-14-9-15(6-5-13(14)8-12)16-2-1-7-18-11-16/h1-9,11H.
What are the key properties of 6-pyridin-3-ylnaphthalene-2-carbonitrile?
6-pyridin-3-ylnaphthalene-2-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 6-pyridin-3-ylnaphthalene-2-carbonitrile is sourced from PubChem (CID 11601068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).