(4-bromo-5-chlorothiophen-2-yl)-(3-phenyltriazol-4-yl)methanol

C13H9BrClN3OS — CID 102829929

IUPAC(4-bromo-5-chlorothiophen-2-yl)-(3-phenyltriazol-4-yl)methanol
SMILESOC(c1cc(Br)c(Cl)s1)c1cnnn1-c1ccccc1
InChIInChI=1S/C13H9BrClN3OS/c14-9-6-11(20-13(9)15)12(19)10-7-16-17-18(10)8-4-2-1-3-5-8/h1-7,12,19H
InChIKeyYFDSFZPXPUJLJK-UHFFFAOYSA-N
MW370.66 g/mol
LogP3.83
Rot. Bonds3

About (4-bromo-5-chlorothiophen-2-yl)-(3-phenyltriazol-4-yl)methanol

(4-bromo-5-chlorothiophen-2-yl)-(3-phenyltriazol-4-yl)methanol (PubChem CID 102829929) has the molecular formula C13H9BrClN3OS and a molecular weight of 370.66 g/mol. Its IUPAC name is (4-bromo-5-chlorothiophen-2-yl)-(3-phenyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(4-bromo-5-chlorothiophen-2-yl)-(3-phenyltriazol-4-yl)methanol
PubChem CID102829929
Molecular FormulaC13H9BrClN3OS
Molecular Weight370.66 g/mol
Exact Mass368.93
IUPAC Name(4-bromo-5-chlorothiophen-2-yl)-(3-phenyltriazol-4-yl)methanol
SMILESOC(c1cc(Br)c(Cl)s1)c1cnnn1-c1ccccc1
InChIInChI=1S/C13H9BrClN3OS/c14-9-6-11(20-13(9)15)12(19)10-7-16-17-18(10)8-4-2-1-3-5-8/h1-7,12,19H
InChIKeyYFDSFZPXPUJLJK-UHFFFAOYSA-N
XLogP3.83
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.66
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Bromo-5-methylthiophen-2-yl)-(3-phenyltriazol-4-yl)methanol
CID 102829577
(4-Bromo-5-chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol
CID 102829895
(4-Bromo-5-chlorothiophen-2-yl)-pyrazin-2-ylmethanol
CID 102829897
(4-Bromo-5-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 102830038
(4-Bromo-5-chlorothiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol
CID 102830180
(4-Bromo-5-chlorothiophen-2-yl)-(3-propyltriazol-4-yl)methanol
CID 102830282
(3-Chloro-4-methylthiophen-2-yl)-(3-phenyltriazol-4-yl)methanol
CID 103408271
(5-Chlorothiophen-2-yl)-(2-phenyltriazol-4-yl)methanol
CID 105119777
(5-Bromothiophen-3-yl)-(3-phenyltriazol-4-yl)methanol
CID 105128594
1-(3-Phenyltriazol-4-yl)-2-thiophen-3-ylethanol
CID 105128666
1-(4-Bromo-5-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046517
(5-Chlorothiophen-2-yl)-(2-phenylpyrazol-3-yl)methanol
CID 107329866

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(3-phenyltriazol-4-yl)methanol?
The IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(3-phenyltriazol-4-yl)methanol (CID 102829929) is (4-bromo-5-chlorothiophen-2-yl)-(3-phenyltriazol-4-yl)methanol.
What is the SMILES notation for (4-bromo-5-chlorothiophen-2-yl)-(3-phenyltriazol-4-yl)methanol?
The canonical SMILES for (4-bromo-5-chlorothiophen-2-yl)-(3-phenyltriazol-4-yl)methanol is OC(c1cc(Br)c(Cl)s1)c1cnnn1-c1ccccc1.
What is the InChIKey of (4-bromo-5-chlorothiophen-2-yl)-(3-phenyltriazol-4-yl)methanol?
The InChIKey is YFDSFZPXPUJLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3OS/c14-9-6-11(20-13(9)15)12(19)10-7-16-17-18(10)8-4-2-1-3-5-8/h1-7,12,19H.
What are the key properties of (4-bromo-5-chlorothiophen-2-yl)-(3-phenyltriazol-4-yl)methanol?
(4-bromo-5-chlorothiophen-2-yl)-(3-phenyltriazol-4-yl)methanol has a molecular weight of 370.66 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chlorothiophen-2-yl)-(3-phenyltriazol-4-yl)methanol is sourced from PubChem (CID 102829929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).