(2R)-1-[(4-chlorophenyl)methoxy]-3-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propan-2-ol

C16H14Cl3N3O2S — CID 31578219

IUPAC(2R)-1-[(4-chlorophenyl)methoxy]-3-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propan-2-ol
SMILESO[C@H](COCc1ccc(Cl)cc1)CSc1nnc2c(Cl)cc(Cl)cn12
InChIInChI=1S/C16H14Cl3N3O2S/c17-11-3-1-10(2-4-11)7-24-8-13(23)9-25-16-21-20-15-14(19)5-12(18)6-22(15)16/h1-6,13,23H,7-9H2/t13-/m1/s1
InChIKeyGVEMPXQVMPNGIU-CYBMUJFWSA-N
MW418.73 g/mol
LogP4.36
Rot. Bonds7

About (2R)-1-[(4-chlorophenyl)methoxy]-3-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propan-2-ol

(2R)-1-[(4-chlorophenyl)methoxy]-3-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propan-2-ol (PubChem CID 31578219) has the molecular formula C16H14Cl3N3O2S and a molecular weight of 418.73 g/mol. Its IUPAC name is (2R)-1-[(4-chlorophenyl)methoxy]-3-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(4-chlorophenyl)methoxy]-3-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propan-2-ol
PubChem CID31578219
Molecular FormulaC16H14Cl3N3O2S
Molecular Weight418.73 g/mol
Exact Mass416.99
IUPAC Name(2R)-1-[(4-chlorophenyl)methoxy]-3-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propan-2-ol
SMILESO[C@H](COCc1ccc(Cl)cc1)CSc1nnc2c(Cl)cc(Cl)cn12
InChIInChI=1S/C16H14Cl3N3O2S/c17-11-3-1-10(2-4-11)7-24-8-13(23)9-25-16-21-20-15-14(19)5-12(18)6-22(15)16/h1-6,13,23H,7-9H2/t13-/m1/s1
InChIKeyGVEMPXQVMPNGIU-CYBMUJFWSA-N
XLogP4.36
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.73
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[(4-chlorophenyl)methoxy]-3-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propan-2-ol with MolForge

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Related Compounds

1-Phenylmethoxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol
CID 47010245
2-[(6,8-Dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-1-(2-fluorophenyl)ethanol
CID 45873694
6,8-Dichloro-3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 2081653
2-[[8-Chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]ethyl benzoate
CID 7870657
(2R)-1-[(2-fluorophenyl)methoxy]-3-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol
CID 8306735
(2S)-1-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-phenoxypropan-2-ol
CID 8312465
(2R)-1-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-phenoxypropan-2-ol
CID 8312467
2-[[8-Chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-1-phenylethanol
CID 17450808
1-[[8-Chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-(2,4-dimethylphenoxy)propan-2-ol
CID 22109999
1-[(2-Chlorophenyl)methoxy]-3-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol
CID 24490306
(2R)-1-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-(4-ethylphenoxy)propan-2-ol
CID 25582388
(2S)-1-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-(4-ethylphenoxy)propan-2-ol
CID 25582396

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-chlorophenyl)methoxy]-3-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propan-2-ol?
The IUPAC name of (2R)-1-[(4-chlorophenyl)methoxy]-3-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propan-2-ol (CID 31578219) is (2R)-1-[(4-chlorophenyl)methoxy]-3-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propan-2-ol.
What is the SMILES notation for (2R)-1-[(4-chlorophenyl)methoxy]-3-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propan-2-ol?
The canonical SMILES for (2R)-1-[(4-chlorophenyl)methoxy]-3-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propan-2-ol is O[C@H](COCc1ccc(Cl)cc1)CSc1nnc2c(Cl)cc(Cl)cn12.
What is the InChIKey of (2R)-1-[(4-chlorophenyl)methoxy]-3-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propan-2-ol?
The InChIKey is GVEMPXQVMPNGIU-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H14Cl3N3O2S/c17-11-3-1-10(2-4-11)7-24-8-13(23)9-25-16-21-20-15-14(19)5-12(18)6-22(15)16/h1-6,13,23H,7-9H2/t13-/m1/s1.
What are the key properties of (2R)-1-[(4-chlorophenyl)methoxy]-3-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propan-2-ol?
(2R)-1-[(4-chlorophenyl)methoxy]-3-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propan-2-ol has a molecular weight of 418.73 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4-chlorophenyl)methoxy]-3-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propan-2-ol is sourced from PubChem (CID 31578219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).