(5-bromo-3-methyltriazol-4-yl)-(2,5-dichlorothiophen-3-yl)methanol

C8H6BrCl2N3OS — CID 107969989

IUPAC(5-bromo-3-methyltriazol-4-yl)-(2,5-dichlorothiophen-3-yl)methanol
SMILESCn1nnc(Br)c1C(O)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H6BrCl2N3OS/c1-14-5(7(9)12-13-14)6(15)3-2-4(10)16-8(3)11/h2,6,15H,1H3
InChIKeyDLWOAURDMZSTTE-UHFFFAOYSA-N
MW343.03 g/mol
LogP3.03
Rot. Bonds2

About (5-bromo-3-methyltriazol-4-yl)-(2,5-dichlorothiophen-3-yl)methanol

(5-bromo-3-methyltriazol-4-yl)-(2,5-dichlorothiophen-3-yl)methanol (PubChem CID 107969989) has the molecular formula C8H6BrCl2N3OS and a molecular weight of 343.03 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(2,5-dichlorothiophen-3-yl)methanol.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(2,5-dichlorothiophen-3-yl)methanol
PubChem CID107969989
Molecular FormulaC8H6BrCl2N3OS
Molecular Weight343.03 g/mol
Exact Mass340.88
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(2,5-dichlorothiophen-3-yl)methanol
SMILESCn1nnc(Br)c1C(O)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H6BrCl2N3OS/c1-14-5(7(9)12-13-14)6(15)3-2-4(10)16-8(3)11/h2,6,15H,1H3
InChIKeyDLWOAURDMZSTTE-UHFFFAOYSA-N
XLogP3.03
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.03
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-Bromo-3-methyltriazol-4-yl)-thiophen-3-ylmethanol
CID 106461139
(5-Bromo-3-methyltriazol-4-yl)-(3-methylthiophen-2-yl)methanol
CID 106461166
(5-Bromo-3-methyltriazol-4-yl)-(5-chlorothiophen-2-yl)methanol
CID 106461195
(5-Bromo-3-methyltriazol-4-yl)-(2,5-dimethylthiophen-3-yl)methanol
CID 106461210
(5-Bromo-3-methyltriazol-4-yl)-(4-chlorothiophen-2-yl)methanol
CID 106461297
(4-Bromo-5-chlorothiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol
CID 106461442
(5-Bromo-3-methyltriazol-4-yl)-(4-methylthiophen-3-yl)methanol
CID 106461917
(5-Bromo-3-methyltriazol-4-yl)-(3-chloro-4-methylthiophen-2-yl)methanol
CID 106465454
(5-Bromo-3-methyltriazol-4-yl)-(5-bromothiophen-3-yl)methanol
CID 106465484
(5-Bromo-3-methyltriazol-4-yl)-(4,5-dimethylthiophen-2-yl)methanol
CID 106465514
(5-Bromo-3-methyltriazol-4-yl)-(3-ethylthiophen-2-yl)methanol
CID 106465520
(5-Bromo-3-methyltriazol-4-yl)-(3-chlorothiophen-2-yl)methanol
CID 106465577

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(2,5-dichlorothiophen-3-yl)methanol?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(2,5-dichlorothiophen-3-yl)methanol (CID 107969989) is (5-bromo-3-methyltriazol-4-yl)-(2,5-dichlorothiophen-3-yl)methanol.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(2,5-dichlorothiophen-3-yl)methanol?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(2,5-dichlorothiophen-3-yl)methanol is Cn1nnc(Br)c1C(O)c1cc(Cl)sc1Cl.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(2,5-dichlorothiophen-3-yl)methanol?
The InChIKey is DLWOAURDMZSTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrCl2N3OS/c1-14-5(7(9)12-13-14)6(15)3-2-4(10)16-8(3)11/h2,6,15H,1H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(2,5-dichlorothiophen-3-yl)methanol?
(5-bromo-3-methyltriazol-4-yl)-(2,5-dichlorothiophen-3-yl)methanol has a molecular weight of 343.03 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyltriazol-4-yl)-(2,5-dichlorothiophen-3-yl)methanol is sourced from PubChem (CID 107969989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).