2-(4-chlorophenyl)-6-(2-fluorophenyl)-4-methylsulfanylpyridine

C18H13ClFNS — CID 14551214

IUPAC2-(4-chlorophenyl)-6-(2-fluorophenyl)-4-methylsulfanylpyridine
SMILESCSc1cc(-c2ccc(Cl)cc2)nc(-c2ccccc2F)c1
InChIInChI=1S/C18H13ClFNS/c1-22-14-10-17(12-6-8-13(19)9-7-12)21-18(11-14)15-4-2-3-5-16(15)20/h2-11H,1H3
InChIKeyKRQAFGZDZQQQQO-UHFFFAOYSA-N
MW329.83 g/mol
LogP5.93
Rot. Bonds3

About 2-(4-chlorophenyl)-6-(2-fluorophenyl)-4-methylsulfanylpyridine

2-(4-chlorophenyl)-6-(2-fluorophenyl)-4-methylsulfanylpyridine (PubChem CID 14551214) has the molecular formula C18H13ClFNS and a molecular weight of 329.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-(2-fluorophenyl)-4-methylsulfanylpyridine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-(2-fluorophenyl)-4-methylsulfanylpyridine
PubChem CID14551214
Molecular FormulaC18H13ClFNS
Molecular Weight329.83 g/mol
Exact Mass329.04
IUPAC Name2-(4-chlorophenyl)-6-(2-fluorophenyl)-4-methylsulfanylpyridine
SMILESCSc1cc(-c2ccc(Cl)cc2)nc(-c2ccccc2F)c1
InChIInChI=1S/C18H13ClFNS/c1-22-14-10-17(12-6-8-13(19)9-7-12)21-18(11-14)15-4-2-3-5-16(15)20/h2-11H,1H3
InChIKeyKRQAFGZDZQQQQO-UHFFFAOYSA-N
XLogP5.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.83
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-6-(4-chlorophenyl)-4-methylsulfanylpyridine
CID 14551217
4-chloro-6-(2-fluorophenyl)-2-methylsulfanylpyrimidine
CID 134110596
2,4-bis(4-chlorophenyl)-6-phenylpyridine
CID 3640020
4-(4-methylsulfanylphenyl)-2,6-diphenylpyridine
CID 11078715
3-(4-chlorophenyl)-2-(2-fluorophenyl)quinoline
CID 22399508
2-(4-chlorophenyl)-N,N-diethyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877611
4-chloro-6-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)pyrimidine
CID 14623118
2,6-bis(4-chlorophenyl)-4-(4-methylphenyl)pyridine
CID 101453856
4-[2-cyclopropyl-6-(2-fluorophenyl)pyrimidin-4-yl]phenol
CID 174614511
4-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline
CID 56807096
4-chloro-6-(4-methylsulfanylphenyl)pyrimidin-2-amine;ethane
CID 143206145
2-(4-chlorophenyl)-5-(2-fluorophenyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877638

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-(2-fluorophenyl)-4-methylsulfanylpyridine?
The IUPAC name of 2-(4-chlorophenyl)-6-(2-fluorophenyl)-4-methylsulfanylpyridine (CID 14551214) is 2-(4-chlorophenyl)-6-(2-fluorophenyl)-4-methylsulfanylpyridine.
What is the SMILES notation for 2-(4-chlorophenyl)-6-(2-fluorophenyl)-4-methylsulfanylpyridine?
The canonical SMILES for 2-(4-chlorophenyl)-6-(2-fluorophenyl)-4-methylsulfanylpyridine is CSc1cc(-c2ccc(Cl)cc2)nc(-c2ccccc2F)c1.
What is the InChIKey of 2-(4-chlorophenyl)-6-(2-fluorophenyl)-4-methylsulfanylpyridine?
The InChIKey is KRQAFGZDZQQQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNS/c1-22-14-10-17(12-6-8-13(19)9-7-12)21-18(11-14)15-4-2-3-5-16(15)20/h2-11H,1H3.
What are the key properties of 2-(4-chlorophenyl)-6-(2-fluorophenyl)-4-methylsulfanylpyridine?
2-(4-chlorophenyl)-6-(2-fluorophenyl)-4-methylsulfanylpyridine has a molecular weight of 329.83 g/mol, XLogP of 5.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-(2-fluorophenyl)-4-methylsulfanylpyridine is sourced from PubChem (CID 14551214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).