3-chloro-2-(1-phenylimidazol-2-yl)sulfanyl-5-(trifluoromethyl)pyridine

C15H9ClF3N3S — CID 1474303

IUPAC3-chloro-2-(1-phenylimidazol-2-yl)sulfanyl-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(Sc2nccn2-c2ccccc2)c(Cl)c1
InChIInChI=1S/C15H9ClF3N3S/c16-12-8-10(15(17,18)19)9-21-13(12)23-14-20-6-7-22(14)11-4-2-1-3-5-11/h1-9H
InChIKeyZCKAIIJLUVIMLF-UHFFFAOYSA-N
MW355.77 g/mol
LogP5.09
Rot. Bonds3

About 3-chloro-2-(1-phenylimidazol-2-yl)sulfanyl-5-(trifluoromethyl)pyridine

3-chloro-2-(1-phenylimidazol-2-yl)sulfanyl-5-(trifluoromethyl)pyridine (PubChem CID 1474303) has the molecular formula C15H9ClF3N3S and a molecular weight of 355.77 g/mol. Its IUPAC name is 3-chloro-2-(1-phenylimidazol-2-yl)sulfanyl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(1-phenylimidazol-2-yl)sulfanyl-5-(trifluoromethyl)pyridine
PubChem CID1474303
Molecular FormulaC15H9ClF3N3S
Molecular Weight355.77 g/mol
Exact Mass355.02
IUPAC Name3-chloro-2-(1-phenylimidazol-2-yl)sulfanyl-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(Sc2nccn2-c2ccccc2)c(Cl)c1
InChIInChI=1S/C15H9ClF3N3S/c16-12-8-10(15(17,18)19)9-21-13(12)23-14-20-6-7-22(14)11-4-2-1-3-5-11/h1-9H
InChIKeyZCKAIIJLUVIMLF-UHFFFAOYSA-N
XLogP5.09
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.77
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-5-(trifluoromethyl)pyridine
CID 2460313
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-phenylimidazol-2-yl)sulfanylacetamide
CID 5183580
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1-methylindole-3-carboxylic acid
CID 46910672
3-chloro-2-[[5-pyridin-4-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]sulfanyl]-5-(trifluoromethyl)pyridine
CID 133277092
3-chloro-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)pyridine
CID 55465351
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5-phenyl-1,3-oxazole
CID 8850174
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 17457054
3-chloro-2-pyrazol-1-yl-5-(trifluoromethyl)pyridine
CID 1478737
1-(4-bromophenyl)-2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]imidazol-2-yl]sulfanylethanone
CID 1475041
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-methylimidazol-4-yl]urea
CID 2767108
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]isoindole-1,3-dione
CID 8852189
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3,5-difluoroaniline
CID 61371607

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(1-phenylimidazol-2-yl)sulfanyl-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-(1-phenylimidazol-2-yl)sulfanyl-5-(trifluoromethyl)pyridine (CID 1474303) is 3-chloro-2-(1-phenylimidazol-2-yl)sulfanyl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-(1-phenylimidazol-2-yl)sulfanyl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-(1-phenylimidazol-2-yl)sulfanyl-5-(trifluoromethyl)pyridine is FC(F)(F)c1cnc(Sc2nccn2-c2ccccc2)c(Cl)c1.
What is the InChIKey of 3-chloro-2-(1-phenylimidazol-2-yl)sulfanyl-5-(trifluoromethyl)pyridine?
The InChIKey is ZCKAIIJLUVIMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N3S/c16-12-8-10(15(17,18)19)9-21-13(12)23-14-20-6-7-22(14)11-4-2-1-3-5-11/h1-9H.
What are the key properties of 3-chloro-2-(1-phenylimidazol-2-yl)sulfanyl-5-(trifluoromethyl)pyridine?
3-chloro-2-(1-phenylimidazol-2-yl)sulfanyl-5-(trifluoromethyl)pyridine has a molecular weight of 355.77 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(1-phenylimidazol-2-yl)sulfanyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 1474303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).