6-cyclopropyl-4-(furan-2-yl)-2-sulfanylidene-1H-pyridine-3-carbonitrile

C13H10N2OS — CID 4656493

IUPAC6-cyclopropyl-4-(furan-2-yl)-2-sulfanylidene-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccco2)cc(C2CC2)[nH]c1=S
InChIInChI=1S/C13H10N2OS/c14-7-10-9(12-2-1-5-16-12)6-11(8-3-4-8)15-13(10)17/h1-2,5-6,8H,3-4H2,(H,15,17)
InChIKeyBIHZJPZRWGGQBP-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.75
Rot. Bonds2

About 6-cyclopropyl-4-(furan-2-yl)-2-sulfanylidene-1H-pyridine-3-carbonitrile

6-cyclopropyl-4-(furan-2-yl)-2-sulfanylidene-1H-pyridine-3-carbonitrile (PubChem CID 4656493) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 6-cyclopropyl-4-(furan-2-yl)-2-sulfanylidene-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-cyclopropyl-4-(furan-2-yl)-2-sulfanylidene-1H-pyridine-3-carbonitrile
PubChem CID4656493
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name6-cyclopropyl-4-(furan-2-yl)-2-sulfanylidene-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccco2)cc(C2CC2)[nH]c1=S
InChIInChI=1S/C13H10N2OS/c14-7-10-9(12-2-1-5-16-12)6-11(8-3-4-8)15-13(10)17/h1-2,5-6,8H,3-4H2,(H,15,17)
InChIKeyBIHZJPZRWGGQBP-UHFFFAOYSA-N
XLogP3.75
TPSA52.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-cyclopropyl-4-(furan-2-yl)-2-sulfanylidene-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-cyclopropyl-4-(furan-2-yl)-2-sulfanylidene-1H-pyridine-3-carbonitrile (CID 4656493) is 6-cyclopropyl-4-(furan-2-yl)-2-sulfanylidene-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-cyclopropyl-4-(furan-2-yl)-2-sulfanylidene-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-cyclopropyl-4-(furan-2-yl)-2-sulfanylidene-1H-pyridine-3-carbonitrile is N#Cc1c(-c2ccco2)cc(C2CC2)[nH]c1=S.
What is the InChIKey of 6-cyclopropyl-4-(furan-2-yl)-2-sulfanylidene-1H-pyridine-3-carbonitrile?
The InChIKey is BIHZJPZRWGGQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c14-7-10-9(12-2-1-5-16-12)6-11(8-3-4-8)15-13(10)17/h1-2,5-6,8H,3-4H2,(H,15,17).
What are the key properties of 6-cyclopropyl-4-(furan-2-yl)-2-sulfanylidene-1H-pyridine-3-carbonitrile?
6-cyclopropyl-4-(furan-2-yl)-2-sulfanylidene-1H-pyridine-3-carbonitrile has a molecular weight of 242.30 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-4-(furan-2-yl)-2-sulfanylidene-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 4656493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).