2-[2-(4-chlorophenyl)sulfanyl-5-methylpyrrol-1-yl]pyridine

C16H13ClN2S — CID 171481611

IUPAC2-[2-(4-chlorophenyl)sulfanyl-5-methylpyrrol-1-yl]pyridine
SMILESCc1ccc(Sc2ccc(Cl)cc2)n1-c1ccccn1
InChIInChI=1S/C16H13ClN2S/c1-12-5-10-16(19(12)15-4-2-3-11-18-15)20-14-8-6-13(17)7-9-14/h2-11H,1H3
InChIKeyWWRRLAOSQVVDGD-UHFFFAOYSA-N
MW300.81 g/mol
LogP4.99
Rot. Bonds3

About 2-[2-(4-chlorophenyl)sulfanyl-5-methylpyrrol-1-yl]pyridine

2-[2-(4-chlorophenyl)sulfanyl-5-methylpyrrol-1-yl]pyridine (PubChem CID 171481611) has the molecular formula C16H13ClN2S and a molecular weight of 300.81 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)sulfanyl-5-methylpyrrol-1-yl]pyridine.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)sulfanyl-5-methylpyrrol-1-yl]pyridine
PubChem CID171481611
Molecular FormulaC16H13ClN2S
Molecular Weight300.81 g/mol
Exact Mass300.05
IUPAC Name2-[2-(4-chlorophenyl)sulfanyl-5-methylpyrrol-1-yl]pyridine
SMILESCc1ccc(Sc2ccc(Cl)cc2)n1-c1ccccn1
InChIInChI=1S/C16H13ClN2S/c1-12-5-10-16(19(12)15-4-2-3-11-18-15)20-14-8-6-13(17)7-9-14/h2-11H,1H3
InChIKeyWWRRLAOSQVVDGD-UHFFFAOYSA-N
XLogP4.99
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)sulfanyl-5-methylpyrrol-1-yl]pyridine?
The IUPAC name of 2-[2-(4-chlorophenyl)sulfanyl-5-methylpyrrol-1-yl]pyridine (CID 171481611) is 2-[2-(4-chlorophenyl)sulfanyl-5-methylpyrrol-1-yl]pyridine.
What is the SMILES notation for 2-[2-(4-chlorophenyl)sulfanyl-5-methylpyrrol-1-yl]pyridine?
The canonical SMILES for 2-[2-(4-chlorophenyl)sulfanyl-5-methylpyrrol-1-yl]pyridine is Cc1ccc(Sc2ccc(Cl)cc2)n1-c1ccccn1.
What is the InChIKey of 2-[2-(4-chlorophenyl)sulfanyl-5-methylpyrrol-1-yl]pyridine?
The InChIKey is WWRRLAOSQVVDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2S/c1-12-5-10-16(19(12)15-4-2-3-11-18-15)20-14-8-6-13(17)7-9-14/h2-11H,1H3.
What are the key properties of 2-[2-(4-chlorophenyl)sulfanyl-5-methylpyrrol-1-yl]pyridine?
2-[2-(4-chlorophenyl)sulfanyl-5-methylpyrrol-1-yl]pyridine has a molecular weight of 300.81 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)sulfanyl-5-methylpyrrol-1-yl]pyridine is sourced from PubChem (CID 171481611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).