2-sulfanylidene-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile

C16H14N2S — CID 71653256

IUPAC2-sulfanylidene-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)CCCC3)[nH]c1=S
InChIInChI=1S/C16H14N2S/c17-10-14-7-8-15(18-16(14)19)13-6-5-11-3-1-2-4-12(11)9-13/h5-9H,1-4H2,(H,18,19)
InChIKeyZIEQDFHGMWBPKB-UHFFFAOYSA-N
MW266.37 g/mol
LogP4.16
Rot. Bonds1

About 2-sulfanylidene-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile

2-sulfanylidene-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile (PubChem CID 71653256) has the molecular formula C16H14N2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-sulfanylidene-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-sulfanylidene-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile
PubChem CID71653256
Molecular FormulaC16H14N2S
Molecular Weight266.37 g/mol
Exact Mass266.09
IUPAC Name2-sulfanylidene-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)CCCC3)[nH]c1=S
InChIInChI=1S/C16H14N2S/c17-10-14-7-8-15(18-16(14)19)13-6-5-11-3-1-2-4-12(11)9-13/h5-9H,1-4H2,(H,18,19)
InChIKeyZIEQDFHGMWBPKB-UHFFFAOYSA-N
XLogP4.16
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_pyridone_A(54)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-sulfanylidene-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-sulfanylidene-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile (CID 71653256) is 2-sulfanylidene-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-sulfanylidene-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-sulfanylidene-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile is N#Cc1ccc(-c2ccc3c(c2)CCCC3)[nH]c1=S.
What is the InChIKey of 2-sulfanylidene-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile?
The InChIKey is ZIEQDFHGMWBPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S/c17-10-14-7-8-15(18-16(14)19)13-6-5-11-3-1-2-4-12(11)9-13/h5-9H,1-4H2,(H,18,19).
What are the key properties of 2-sulfanylidene-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile?
2-sulfanylidene-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile has a molecular weight of 266.37 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylidene-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 71653256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).