2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridine-3-carbonitrile

C17H10ClFN2S2 — CID 632275

IUPAC2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2cccs2)nc1SCc1c(F)cccc1Cl
InChIInChI=1S/C17H10ClFN2S2/c18-13-3-1-4-14(19)12(13)10-23-17-11(9-20)6-7-15(21-17)16-5-2-8-22-16/h1-8H,10H2
InChIKeyURJMXLYGJGEAIO-UHFFFAOYSA-N
MW360.87 g/mol
LogP5.77
Rot. Bonds4

About 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridine-3-carbonitrile

2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridine-3-carbonitrile (PubChem CID 632275) has the molecular formula C17H10ClFN2S2 and a molecular weight of 360.87 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridine-3-carbonitrile
PubChem CID632275
Molecular FormulaC17H10ClFN2S2
Molecular Weight360.87 g/mol
Exact Mass360.00
IUPAC Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2cccs2)nc1SCc1c(F)cccc1Cl
InChIInChI=1S/C17H10ClFN2S2/c18-13-3-1-4-14(19)12(13)10-23-17-11(9-20)6-7-15(21-17)16-5-2-8-22-16/h1-8H,10H2
InChIKeyURJMXLYGJGEAIO-UHFFFAOYSA-N
XLogP5.77
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.87
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridine-3-carbonitrile?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridine-3-carbonitrile (CID 632275) is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridine-3-carbonitrile is N#Cc1ccc(-c2cccs2)nc1SCc1c(F)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridine-3-carbonitrile?
The InChIKey is URJMXLYGJGEAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFN2S2/c18-13-3-1-4-14(19)12(13)10-23-17-11(9-20)6-7-15(21-17)16-5-2-8-22-16/h1-8H,10H2.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridine-3-carbonitrile?
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridine-3-carbonitrile has a molecular weight of 360.87 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 632275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).