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

C8H6Br2ClN3OS — CID 106461442

IUPAC(4-bromo-5-chlorothiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol
SMILESCn1nnc(Br)c1C(O)c1cc(Br)c(Cl)s1
InChIInChI=1S/C8H6Br2ClN3OS/c1-14-5(7(10)12-13-14)6(15)4-2-3(9)8(11)16-4/h2,6,15H,1H3
InChIKeyRUBMDSKGMJTCEW-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.14
Rot. Bonds2

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

(4-bromo-5-chlorothiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol (PubChem CID 106461442) has the molecular formula C8H6Br2ClN3OS and a molecular weight of 387.48 g/mol. Its IUPAC name is (4-bromo-5-chlorothiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(4-bromo-5-chlorothiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol
PubChem CID106461442
Molecular FormulaC8H6Br2ClN3OS
Molecular Weight387.48 g/mol
Exact Mass384.83
IUPAC Name(4-bromo-5-chlorothiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol
SMILESCn1nnc(Br)c1C(O)c1cc(Br)c(Cl)s1
InChIInChI=1S/C8H6Br2ClN3OS/c1-14-5(7(10)12-13-14)6(15)4-2-3(9)8(11)16-4/h2,6,15H,1H3
InChIKeyRUBMDSKGMJTCEW-UHFFFAOYSA-N
XLogP3.14
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-bromo-3-methyltriazol-4-yl)-(4-chlorophenyl)methanol
CID 106461142
(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
CID 106465440
(5-bromo-3-methyltriazol-4-yl)-(5-ethylthiophen-2-yl)methanol
CID 106461206
(3-bromo-4-fluorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol
CID 106461184
(5-bromo-3-methyltriazol-4-yl)-(3,5-dibromo-2-pyridinyl)methanol
CID 106461393
(4-bromo-5-chlorothiophen-2-yl)-pyrimidin-5-ylmethanol
CID 102829986
(4-bromo-5-chlorothiophen-2-yl)-(1-ethylimidazol-2-yl)methanol
CID 102830320
(5-bromo-3-methyltriazol-4-yl)-thiophen-3-ylmethanol
CID 106461139
(5-bromo-3-methyltriazol-4-yl)-(1,3-thiazol-2-yl)methanol
CID 106461391
(5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methanol
CID 106461399
(5-bromo-3-methyltriazol-4-yl)-(2,4,5-trimethoxyphenyl)methanol
CID 106461168
(2-amino-5-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol
CID 106461945

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol?
The IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol (CID 106461442) is (4-bromo-5-chlorothiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol.
What is the SMILES notation for (4-bromo-5-chlorothiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol?
The canonical SMILES for (4-bromo-5-chlorothiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol is Cn1nnc(Br)c1C(O)c1cc(Br)c(Cl)s1.
What is the InChIKey of (4-bromo-5-chlorothiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol?
The InChIKey is RUBMDSKGMJTCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2ClN3OS/c1-14-5(7(10)12-13-14)6(15)4-2-3(9)8(11)16-4/h2,6,15H,1H3.
What are the key properties of (4-bromo-5-chlorothiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol?
(4-bromo-5-chlorothiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol has a molecular weight of 387.48 g/mol, XLogP of 3.14, 2 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)-(5-bromo-3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 106461442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).