(5-bromo-3-methyltriazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanol

C11H11BrFN3O2 — CID 106461270

IUPAC(5-bromo-3-methyltriazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2c(Br)nnn2C)cc1F
InChIInChI=1S/C11H11BrFN3O2/c1-16-9(11(12)14-15-16)10(17)6-3-4-8(18-2)7(13)5-6/h3-5,10,17H,1-2H3
InChIKeyYOZULLRNPXLBKD-UHFFFAOYSA-N
MW316.13 g/mol
LogP1.81
Rot. Bonds3

About (5-bromo-3-methyltriazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanol

(5-bromo-3-methyltriazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanol (PubChem CID 106461270) has the molecular formula C11H11BrFN3O2 and a molecular weight of 316.13 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanol
PubChem CID106461270
Molecular FormulaC11H11BrFN3O2
Molecular Weight316.13 g/mol
Exact Mass315.00
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2c(Br)nnn2C)cc1F
InChIInChI=1S/C11H11BrFN3O2/c1-16-9(11(12)14-15-16)10(17)6-3-4-8(18-2)7(13)5-6/h3-5,10,17H,1-2H3
InChIKeyYOZULLRNPXLBKD-UHFFFAOYSA-N
XLogP1.81
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.13
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanol?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanol (CID 106461270) is (5-bromo-3-methyltriazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanol.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanol?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanol is COc1ccc(C(O)c2c(Br)nnn2C)cc1F.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanol?
The InChIKey is YOZULLRNPXLBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3O2/c1-16-9(11(12)14-15-16)10(17)6-3-4-8(18-2)7(13)5-6/h3-5,10,17H,1-2H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanol?
(5-bromo-3-methyltriazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanol has a molecular weight of 316.13 g/mol, XLogP of 1.81, 3 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)-(3-fluoro-4-methoxyphenyl)methanol is sourced from PubChem (CID 106461270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).