6-(5-bromo-2-pyridinyl)naphthalene-2-carbonitrile

C16H9BrN2 — CID 142730471

IUPAC6-(5-bromo-2-pyridinyl)naphthalene-2-carbonitrile
SMILESN#Cc1ccc2cc(-c3ccc(Br)cn3)ccc2c1
InChIInChI=1S/C16H9BrN2/c17-15-5-6-16(19-10-15)14-4-3-12-7-11(9-18)1-2-13(12)8-14/h1-8,10H
InChIKeyAOGAYTXXXKLPKK-UHFFFAOYSA-N
MW309.17 g/mol
LogP4.54
Rot. Bonds1

About 6-(5-bromo-2-pyridinyl)naphthalene-2-carbonitrile

6-(5-bromo-2-pyridinyl)naphthalene-2-carbonitrile (PubChem CID 142730471) has the molecular formula C16H9BrN2 and a molecular weight of 309.17 g/mol. Its IUPAC name is 6-(5-bromo-2-pyridinyl)naphthalene-2-carbonitrile.

Molecular Properties

Compound Name6-(5-bromo-2-pyridinyl)naphthalene-2-carbonitrile
PubChem CID142730471
Molecular FormulaC16H9BrN2
Molecular Weight309.17 g/mol
Exact Mass307.99
IUPAC Name6-(5-bromo-2-pyridinyl)naphthalene-2-carbonitrile
SMILESN#Cc1ccc2cc(-c3ccc(Br)cn3)ccc2c1
InChIInChI=1S/C16H9BrN2/c17-15-5-6-16(19-10-15)14-4-3-12-7-11(9-18)1-2-13(12)8-14/h1-8,10H
InChIKeyAOGAYTXXXKLPKK-UHFFFAOYSA-N
XLogP4.54
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-naphthalen-2-ylpyridine-3-carbonitrile
CID 10537434
[6-(5-bromo-2-pyridinyl)naphthalen-2-yl]oxy-tert-butyl-dimethylsilane
CID 58257410
6-[4-(5-cyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile
CID 11849612
anthracene-2,6-dicarbonitrile
CID 89012264
2-(4-bromophenyl)quinazoline-6-carbonitrile
CID 101015506
6-(3,4-difluorophenyl)pyridine-3-carbonitrile
CID 82113723
7-bromophenanthrene-2-carbonitrile
CID 129104826
5-bromo-2-(5-bromo-2-pyridinyl)pyridine
CID 10903103
4-[4-(3,5-dibromophenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]benzonitrile
CID 155195876
5-bromo-2-(4-ethoxyphenyl)pyridine
CID 83920618
5-bromo-2-(4-phenylphenyl)pyridine
CID 59156304
3-chloroisoquinoline-7-carbonitrile
CID 84819605

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-pyridinyl)naphthalene-2-carbonitrile?
The IUPAC name of 6-(5-bromo-2-pyridinyl)naphthalene-2-carbonitrile (CID 142730471) is 6-(5-bromo-2-pyridinyl)naphthalene-2-carbonitrile.
What is the SMILES notation for 6-(5-bromo-2-pyridinyl)naphthalene-2-carbonitrile?
The canonical SMILES for 6-(5-bromo-2-pyridinyl)naphthalene-2-carbonitrile is N#Cc1ccc2cc(-c3ccc(Br)cn3)ccc2c1.
What is the InChIKey of 6-(5-bromo-2-pyridinyl)naphthalene-2-carbonitrile?
The InChIKey is AOGAYTXXXKLPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrN2/c17-15-5-6-16(19-10-15)14-4-3-12-7-11(9-18)1-2-13(12)8-14/h1-8,10H.
What are the key properties of 6-(5-bromo-2-pyridinyl)naphthalene-2-carbonitrile?
6-(5-bromo-2-pyridinyl)naphthalene-2-carbonitrile has a molecular weight of 309.17 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-pyridinyl)naphthalene-2-carbonitrile is sourced from PubChem (CID 142730471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).