(7-bromo-1-benzofuran-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol

C12H9Br2N3O2 — CID 106465645

IUPAC(7-bromo-1-benzofuran-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol
SMILESCn1nnc(Br)c1C(O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C12H9Br2N3O2/c1-17-9(12(14)15-16-17)10(18)8-5-6-3-2-4-7(13)11(6)19-8/h2-5,10,18H,1H3
InChIKeyQBVIVKUCFBDLNF-UHFFFAOYSA-N
MW387.03 g/mol
LogP3.17
Rot. Bonds2

About (7-bromo-1-benzofuran-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol

(7-bromo-1-benzofuran-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol (PubChem CID 106465645) has the molecular formula C12H9Br2N3O2 and a molecular weight of 387.03 g/mol. Its IUPAC name is (7-bromo-1-benzofuran-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(7-bromo-1-benzofuran-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol
PubChem CID106465645
Molecular FormulaC12H9Br2N3O2
Molecular Weight387.03 g/mol
Exact Mass384.91
IUPAC Name(7-bromo-1-benzofuran-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol
SMILESCn1nnc(Br)c1C(O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C12H9Br2N3O2/c1-17-9(12(14)15-16-17)10(18)8-5-6-3-2-4-7(13)11(6)19-8/h2-5,10,18H,1H3
InChIKeyQBVIVKUCFBDLNF-UHFFFAOYSA-N
XLogP3.17
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.03
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65438582
(5-bromo-3-methyltriazol-4-yl)-(5-ethylfuran-2-yl)methanol
CID 106461197
(5-bromo-3-methyltriazol-4-yl)-quinolin-2-ylmethanol
CID 106461258
1-(7-bromo-1-benzofuran-2-yl)-3-ethylpentan-1-ol
CID 105122499
(3-bromo-4-fluorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol
CID 106461184
(2-amino-5-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol
CID 106461945
1-(7-bromo-1-benzofuran-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064475
(7-bromo-1-benzofuran-2-yl)-(4-fluoro-2-methylphenyl)methanol
CID 105093821
(5-bromo-3-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol
CID 106461185
1-(7-bromo-1-benzofuran-2-yl)prop-2-en-1-ol
CID 105108452
(7-bromo-1-benzofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106884122
(7-bromo-1-benzofuran-2-yl)-(3-bromo-2,6-difluorophenyl)methanol
CID 106945078

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzofuran-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol?
The IUPAC name of (7-bromo-1-benzofuran-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol (CID 106465645) is (7-bromo-1-benzofuran-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol.
What is the SMILES notation for (7-bromo-1-benzofuran-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol?
The canonical SMILES for (7-bromo-1-benzofuran-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol is Cn1nnc(Br)c1C(O)c1cc2cccc(Br)c2o1.
What is the InChIKey of (7-bromo-1-benzofuran-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol?
The InChIKey is QBVIVKUCFBDLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2N3O2/c1-17-9(12(14)15-16-17)10(18)8-5-6-3-2-4-7(13)11(6)19-8/h2-5,10,18H,1H3.
What are the key properties of (7-bromo-1-benzofuran-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol?
(7-bromo-1-benzofuran-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol has a molecular weight of 387.03 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1-benzofuran-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 106465645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).