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

C11H11BrFN3O — CID 114212999

IUPAC(5-bromo-2-fluorophenyl)-(3-ethyltriazol-4-yl)methanol
SMILESCCn1nncc1C(O)c1cc(Br)ccc1F
InChIInChI=1S/C11H11BrFN3O/c1-2-16-10(6-14-15-16)11(17)8-5-7(12)3-4-9(8)13/h3-6,11,17H,2H2,1H3
InChIKeyRHRDFAIRAVSRIS-UHFFFAOYSA-N
MW300.13 g/mol
LogP2.28
Rot. Bonds3

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

(5-bromo-2-fluorophenyl)-(3-ethyltriazol-4-yl)methanol (PubChem CID 114212999) has the molecular formula C11H11BrFN3O and a molecular weight of 300.13 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(3-ethyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(3-ethyltriazol-4-yl)methanol
PubChem CID114212999
Molecular FormulaC11H11BrFN3O
Molecular Weight300.13 g/mol
Exact Mass299.01
IUPAC Name(5-bromo-2-fluorophenyl)-(3-ethyltriazol-4-yl)methanol
SMILESCCn1nncc1C(O)c1cc(Br)ccc1F
InChIInChI=1S/C11H11BrFN3O/c1-2-16-10(6-14-15-16)11(17)8-5-7(12)3-4-9(8)13/h3-6,11,17H,2H2,1H3
InChIKeyRHRDFAIRAVSRIS-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

(2-bromo-5-fluorophenyl)-(3-ethyltriazol-4-yl)methanol
CID 114213050
(5-bromo-2-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114634963
(2,4-dibromophenyl)-(3-propyltriazol-4-yl)methanol
CID 114019485
(5-bromo-2-fluorophenyl)-(3-propan-2-ylimidazol-4-yl)methanol
CID 79742818
(3-ethyltriazol-4-yl)-(2-fluoro-5-methylphenyl)methanamine
CID 114213305
(2-bromo-3-fluorophenyl)-(3-propyltriazol-4-yl)methanol
CID 115834049
(5-bromo-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114634965
(3,4-difluorophenyl)-(3-ethyltriazol-4-yl)methanamine
CID 114213148
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(5-bromo-2-fluorophenyl)-N-methylmethanamine
CID 114894782
[4-(dimethylamino)phenyl]-(3-ethyltriazol-4-yl)methanol
CID 114212993
3-(4-bromophenyl)-2-(3-ethyltriazol-4-yl)propanoic acid
CID 114223536
(5-bromo-2-fluorophenyl)-(2,4,5-trimethylphenyl)methanol
CID 64985386

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(3-ethyltriazol-4-yl)methanol?
The IUPAC name of (5-bromo-2-fluorophenyl)-(3-ethyltriazol-4-yl)methanol (CID 114212999) is (5-bromo-2-fluorophenyl)-(3-ethyltriazol-4-yl)methanol.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(3-ethyltriazol-4-yl)methanol?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(3-ethyltriazol-4-yl)methanol is CCn1nncc1C(O)c1cc(Br)ccc1F.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(3-ethyltriazol-4-yl)methanol?
The InChIKey is RHRDFAIRAVSRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3O/c1-2-16-10(6-14-15-16)11(17)8-5-7(12)3-4-9(8)13/h3-6,11,17H,2H2,1H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(3-ethyltriazol-4-yl)methanol?
(5-bromo-2-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 (5-bromo-2-fluorophenyl)-(3-ethyltriazol-4-yl)methanol is sourced from PubChem (CID 114212999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).