1-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

C16H14N2 — CID 96596668

IUPAC1-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(c1-c1ccncc1)CCCC2
InChIInChI=1S/C16H14N2/c17-11-14-6-5-12-3-1-2-4-15(12)16(14)13-7-9-18-10-8-13/h5-10H,1-4H2
InChIKeyUKPFQLMYQPHBBL-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.50
Rot. Bonds1

About 1-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

1-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (PubChem CID 96596668) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name1-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
PubChem CID96596668
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name1-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(c1-c1ccncc1)CCCC2
InChIInChI=1S/C16H14N2/c17-11-14-6-5-12-3-1-2-4-15(12)16(14)13-7-9-18-10-8-13/h5-10H,1-4H2
InChIKeyUKPFQLMYQPHBBL-UHFFFAOYSA-N
XLogP3.50
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 117277012
4-(2-methylphenyl)-2,3-dihydro-1H-indene-5-carbonitrile
CID 96597680
4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carbonitrile
CID 96592343
6-pyridin-4-ylbenzene-1,2,3,4,5-pentacarbonitrile
CID 158035055
3-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 45117633
4-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 142874323
1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;sulfane
CID 134611635
4-(4-bromo-2,3-dihydro-1H-inden-5-yl)pyridine-2-carbonitrile
CID 151202511
1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 175796578
7,8,9,10-tetrahydropyrrolo[2,1-a]isoquinoline-1-carbonitrile
CID 58056636
2,3-diphenylbenzene-1,4-dicarbonitrile
CID 174765818
5-pyridin-4-yl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile
CID 59930341

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The IUPAC name of 1-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (CID 96596668) is 1-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.
What is the SMILES notation for 1-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The canonical SMILES for 1-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is N#Cc1ccc2c(c1-c1ccncc1)CCCC2.
What is the InChIKey of 1-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The InChIKey is UKPFQLMYQPHBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c17-11-14-6-5-12-3-1-2-4-15(12)16(14)13-7-9-18-10-8-13/h5-10H,1-4H2.
What are the key properties of 1-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
1-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile has a molecular weight of 234.30 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is sourced from PubChem (CID 96596668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).