6-(4-methyl-3-pyridinyl)naphthalene-2-carbonitrile

C17H12N2 — CID 25034343

IUPAC6-(4-methyl-3-pyridinyl)naphthalene-2-carbonitrile
SMILESCc1ccncc1-c1ccc2cc(C#N)ccc2c1
InChIInChI=1S/C17H12N2/c1-12-6-7-19-11-17(12)16-5-4-14-8-13(10-18)2-3-15(14)9-16/h2-9,11H,1H3
InChIKeyBVEDDOVOLJETRX-UHFFFAOYSA-N
MW244.30 g/mol
LogP4.08
Rot. Bonds1

About 6-(4-methyl-3-pyridinyl)naphthalene-2-carbonitrile

6-(4-methyl-3-pyridinyl)naphthalene-2-carbonitrile (PubChem CID 25034343) has the molecular formula C17H12N2 and a molecular weight of 244.30 g/mol. Its IUPAC name is 6-(4-methyl-3-pyridinyl)naphthalene-2-carbonitrile.

Molecular Properties

Compound Name6-(4-methyl-3-pyridinyl)naphthalene-2-carbonitrile
PubChem CID25034343
Molecular FormulaC17H12N2
Molecular Weight244.30 g/mol
Exact Mass244.10
IUPAC Name6-(4-methyl-3-pyridinyl)naphthalene-2-carbonitrile
SMILESCc1ccncc1-c1ccc2cc(C#N)ccc2c1
InChIInChI=1S/C17H12N2/c1-12-6-7-19-11-17(12)16-5-4-14-8-13(10-18)2-3-15(14)9-16/h2-9,11H,1H3
InChIKeyBVEDDOVOLJETRX-UHFFFAOYSA-N
XLogP4.08
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methyl-3-pyridinyl)naphthalene-2-carbonitrile?
The IUPAC name of 6-(4-methyl-3-pyridinyl)naphthalene-2-carbonitrile (CID 25034343) is 6-(4-methyl-3-pyridinyl)naphthalene-2-carbonitrile.
What is the SMILES notation for 6-(4-methyl-3-pyridinyl)naphthalene-2-carbonitrile?
The canonical SMILES for 6-(4-methyl-3-pyridinyl)naphthalene-2-carbonitrile is Cc1ccncc1-c1ccc2cc(C#N)ccc2c1.
What is the InChIKey of 6-(4-methyl-3-pyridinyl)naphthalene-2-carbonitrile?
The InChIKey is BVEDDOVOLJETRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2/c1-12-6-7-19-11-17(12)16-5-4-14-8-13(10-18)2-3-15(14)9-16/h2-9,11H,1H3.
What are the key properties of 6-(4-methyl-3-pyridinyl)naphthalene-2-carbonitrile?
6-(4-methyl-3-pyridinyl)naphthalene-2-carbonitrile has a molecular weight of 244.30 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methyl-3-pyridinyl)naphthalene-2-carbonitrile is sourced from PubChem (CID 25034343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).