(5-bromo-3-methyltriazol-4-yl)-(2-fluoro-5-methylphenyl)methanol

C11H11BrFN3O — CID 106465474

IUPAC(5-bromo-3-methyltriazol-4-yl)-(2-fluoro-5-methylphenyl)methanol
SMILESCc1ccc(F)c(C(O)c2c(Br)nnn2C)c1
InChIInChI=1S/C11H11BrFN3O/c1-6-3-4-8(13)7(5-6)10(17)9-11(12)14-15-16(9)2/h3-5,10,17H,1-2H3
InChIKeySJQJLQKSKJBXJF-UHFFFAOYSA-N
MW300.13 g/mol
LogP2.11
Rot. Bonds2

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

(5-bromo-3-methyltriazol-4-yl)-(2-fluoro-5-methylphenyl)methanol (PubChem CID 106465474) has the molecular formula C11H11BrFN3O and a molecular weight of 300.13 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(2-fluoro-5-methylphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(2-fluoro-5-methylphenyl)methanol
PubChem CID106465474
Molecular FormulaC11H11BrFN3O
Molecular Weight300.13 g/mol
Exact Mass299.01
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(2-fluoro-5-methylphenyl)methanol
SMILESCc1ccc(F)c(C(O)c2c(Br)nnn2C)c1
InChIInChI=1S/C11H11BrFN3O/c1-6-3-4-8(13)7(5-6)10(17)9-11(12)14-15-16(9)2/h3-5,10,17H,1-2H3
InChIKeySJQJLQKSKJBXJF-UHFFFAOYSA-N
XLogP2.11
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.13
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromo-4-fluorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol
CID 106461184
(5-bromo-3-methyltriazol-4-yl)-(2-fluoro-3-methylphenyl)methanol
CID 106465421
(5-bromo-3-methyltriazol-4-yl)-(4-fluoro-2-iodophenyl)methanol
CID 114030491
(5-bromo-3-methyltriazol-4-yl)-(4-chlorophenyl)methanol
CID 106461142
(2-amino-5-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol
CID 106461945
(5-bromo-3-methyltriazol-4-yl)-(2,4,5-trimethoxyphenyl)methanol
CID 106461168
(2-fluoro-5-methylphenyl)-(3-methylimidazol-4-yl)methanol
CID 66117981
(4,5-dibromofuran-2-yl)-(2-fluoro-5-methylphenyl)methanol
CID 63893868
(5-bromo-3-methyltriazol-4-yl)-(2,4-dimethoxyphenyl)methanol
CID 106461135
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanol
CID 115814385
(5-bromo-3-methyltriazol-4-yl)-(2-chloro-4-methylphenyl)methanamine
CID 106858990
(4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanol
CID 115839156

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(2-fluoro-5-methylphenyl)methanol?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(2-fluoro-5-methylphenyl)methanol (CID 106465474) is (5-bromo-3-methyltriazol-4-yl)-(2-fluoro-5-methylphenyl)methanol.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(2-fluoro-5-methylphenyl)methanol?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(2-fluoro-5-methylphenyl)methanol is Cc1ccc(F)c(C(O)c2c(Br)nnn2C)c1.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(2-fluoro-5-methylphenyl)methanol?
The InChIKey is SJQJLQKSKJBXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3O/c1-6-3-4-8(13)7(5-6)10(17)9-11(12)14-15-16(9)2/h3-5,10,17H,1-2H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(2-fluoro-5-methylphenyl)methanol?
(5-bromo-3-methyltriazol-4-yl)-(2-fluoro-5-methylphenyl)methanol has a molecular weight of 300.13 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyltriazol-4-yl)-(2-fluoro-5-methylphenyl)methanol is sourced from PubChem (CID 106465474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).