2-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-3-methoxypyridine

C19H14ClF2NOS — CID 23114672

IUPAC2-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-3-methoxypyridine
SMILESCOc1cccnc1C(Sc1ccc(Cl)cc1)c1cc(F)ccc1F
InChIInChI=1S/C19H14ClF2NOS/c1-24-17-3-2-10-23-18(17)19(15-11-13(21)6-9-16(15)22)25-14-7-4-12(20)5-8-14/h2-11,19H,1H3
InChIKeyIFFKKLACVDYMQR-UHFFFAOYSA-N
MW377.84 g/mol
LogP5.90
Rot. Bonds5

About 2-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-3-methoxypyridine

2-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-3-methoxypyridine (PubChem CID 23114672) has the molecular formula C19H14ClF2NOS and a molecular weight of 377.84 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-3-methoxypyridine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-3-methoxypyridine
PubChem CID23114672
Molecular FormulaC19H14ClF2NOS
Molecular Weight377.84 g/mol
Exact Mass377.05
IUPAC Name2-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-3-methoxypyridine
SMILESCOc1cccnc1C(Sc1ccc(Cl)cc1)c1cc(F)ccc1F
InChIInChI=1S/C19H14ClF2NOS/c1-24-17-3-2-10-23-18(17)19(15-11-13(21)6-9-16(15)22)25-14-7-4-12(20)5-8-14/h2-11,19H,1H3
InChIKeyIFFKKLACVDYMQR-UHFFFAOYSA-N
XLogP5.90
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.84
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-3-methoxypyridine?
The IUPAC name of 2-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-3-methoxypyridine (CID 23114672) is 2-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-3-methoxypyridine.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-3-methoxypyridine?
The canonical SMILES for 2-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-3-methoxypyridine is COc1cccnc1C(Sc1ccc(Cl)cc1)c1cc(F)ccc1F.
What is the InChIKey of 2-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-3-methoxypyridine?
The InChIKey is IFFKKLACVDYMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2NOS/c1-24-17-3-2-10-23-18(17)19(15-11-13(21)6-9-16(15)22)25-14-7-4-12(20)5-8-14/h2-11,19H,1H3.
What are the key properties of 2-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-3-methoxypyridine?
2-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-3-methoxypyridine has a molecular weight of 377.84 g/mol, XLogP of 5.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-3-methoxypyridine is sourced from PubChem (CID 23114672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).