(2-bromo-5-fluorophenyl)-(3-ethyltriazol-4-yl)methanol

C11H11BrFN3O — CID 114213050

IUPAC(2-bromo-5-fluorophenyl)-(3-ethyltriazol-4-yl)methanol
SMILESCCn1nncc1C(O)c1cc(F)ccc1Br
InChIInChI=1S/C11H11BrFN3O/c1-2-16-10(6-14-15-16)11(17)8-5-7(13)3-4-9(8)12/h3-6,11,17H,2H2,1H3
InChIKeyKKJISQWEPCTUBE-UHFFFAOYSA-N
MW300.13 g/mol
LogP2.28
Rot. Bonds3

About (2-bromo-5-fluorophenyl)-(3-ethyltriazol-4-yl)methanol

(2-bromo-5-fluorophenyl)-(3-ethyltriazol-4-yl)methanol (PubChem CID 114213050) has the molecular formula C11H11BrFN3O and a molecular weight of 300.13 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)-(3-ethyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-(3-ethyltriazol-4-yl)methanol
PubChem CID114213050
Molecular FormulaC11H11BrFN3O
Molecular Weight300.13 g/mol
Exact Mass299.01
IUPAC Name(2-bromo-5-fluorophenyl)-(3-ethyltriazol-4-yl)methanol
SMILESCCn1nncc1C(O)c1cc(F)ccc1Br
InChIInChI=1S/C11H11BrFN3O/c1-2-16-10(6-14-15-16)11(17)8-5-7(13)3-4-9(8)12/h3-6,11,17H,2H2,1H3
InChIKeyKKJISQWEPCTUBE-UHFFFAOYSA-N
XLogP2.28
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.13
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromo-2-fluorophenyl)-(3-ethyltriazol-4-yl)methanol
CID 114212999
(2-amino-5-fluorophenyl)-(3-propyltriazol-4-yl)methanol
CID 114686729
(1S)-1-(2-bromo-5-fluorophenyl)propan-1-ol
CID 103920536
(2-bromo-5-fluorophenyl)-(1-propylpyrazol-4-yl)methanol
CID 114981635
(2,4-dibromophenyl)-(3-propyltriazol-4-yl)methanol
CID 114019485
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-bromo-5-fluorophenyl)methanol
CID 115834985
(4-bromo-3-methylphenyl)-(3-propyltriazol-4-yl)methanol
CID 114685279
(2-bromo-3-fluorophenyl)-(3-propyltriazol-4-yl)methanol
CID 115834049
(2-bromo-5-fluorophenyl)-(4-fluoro-2-methylphenyl)methanol
CID 115794207
[(2-bromo-5-fluorophenyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337670
(4-bromo-3-chlorophenyl)-(3-ethyltriazol-4-yl)methanamine
CID 114213506
(4-bromo-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methanol
CID 115834800

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-(3-ethyltriazol-4-yl)methanol?
The IUPAC name of (2-bromo-5-fluorophenyl)-(3-ethyltriazol-4-yl)methanol (CID 114213050) is (2-bromo-5-fluorophenyl)-(3-ethyltriazol-4-yl)methanol.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-(3-ethyltriazol-4-yl)methanol?
The canonical SMILES for (2-bromo-5-fluorophenyl)-(3-ethyltriazol-4-yl)methanol is CCn1nncc1C(O)c1cc(F)ccc1Br.
What is the InChIKey of (2-bromo-5-fluorophenyl)-(3-ethyltriazol-4-yl)methanol?
The InChIKey is KKJISQWEPCTUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3O/c1-2-16-10(6-14-15-16)11(17)8-5-7(13)3-4-9(8)12/h3-6,11,17H,2H2,1H3.
What are the key properties of (2-bromo-5-fluorophenyl)-(3-ethyltriazol-4-yl)methanol?
(2-bromo-5-fluorophenyl)-(3-ethyltriazol-4-yl)methanol has a molecular weight of 300.13 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-fluorophenyl)-(3-ethyltriazol-4-yl)methanol is sourced from PubChem (CID 114213050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).