2-chloro-6-(1H-indol-2-ylsulfanyl)pyridine-4-carbonitrile

C14H8ClN3S — CID 83077192

IUPAC2-chloro-6-(1H-indol-2-ylsulfanyl)pyridine-4-carbonitrile
SMILESN#Cc1cc(Cl)nc(Sc2cc3ccccc3[nH]2)c1
InChIInChI=1S/C14H8ClN3S/c15-12-5-9(8-16)6-13(18-12)19-14-7-10-3-1-2-4-11(10)17-14/h1-7,17H
InChIKeyWUZFELYXAIILMC-UHFFFAOYSA-N
MW285.76 g/mol
LogP4.24
Rot. Bonds2

About 2-chloro-6-(1H-indol-2-ylsulfanyl)pyridine-4-carbonitrile

2-chloro-6-(1H-indol-2-ylsulfanyl)pyridine-4-carbonitrile (PubChem CID 83077192) has the molecular formula C14H8ClN3S and a molecular weight of 285.76 g/mol. Its IUPAC name is 2-chloro-6-(1H-indol-2-ylsulfanyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(1H-indol-2-ylsulfanyl)pyridine-4-carbonitrile
PubChem CID83077192
Molecular FormulaC14H8ClN3S
Molecular Weight285.76 g/mol
Exact Mass285.01
IUPAC Name2-chloro-6-(1H-indol-2-ylsulfanyl)pyridine-4-carbonitrile
SMILESN#Cc1cc(Cl)nc(Sc2cc3ccccc3[nH]2)c1
InChIInChI=1S/C14H8ClN3S/c15-12-5-9(8-16)6-13(18-12)19-14-7-10-3-1-2-4-11(10)17-14/h1-7,17H
InChIKeyWUZFELYXAIILMC-UHFFFAOYSA-N
XLogP4.24
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(1H-indol-2-ylsulfanyl)pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-(1H-indol-2-ylsulfanyl)pyridine-4-carbonitrile (CID 83077192) is 2-chloro-6-(1H-indol-2-ylsulfanyl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-(1H-indol-2-ylsulfanyl)pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-(1H-indol-2-ylsulfanyl)pyridine-4-carbonitrile is N#Cc1cc(Cl)nc(Sc2cc3ccccc3[nH]2)c1.
What is the InChIKey of 2-chloro-6-(1H-indol-2-ylsulfanyl)pyridine-4-carbonitrile?
The InChIKey is WUZFELYXAIILMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN3S/c15-12-5-9(8-16)6-13(18-12)19-14-7-10-3-1-2-4-11(10)17-14/h1-7,17H.
What are the key properties of 2-chloro-6-(1H-indol-2-ylsulfanyl)pyridine-4-carbonitrile?
2-chloro-6-(1H-indol-2-ylsulfanyl)pyridine-4-carbonitrile has a molecular weight of 285.76 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(1H-indol-2-ylsulfanyl)pyridine-4-carbonitrile is sourced from PubChem (CID 83077192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).