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

C11H11BrFN3O — CID 106461204

IUPAC(5-bromo-3-methyltriazol-4-yl)-(4-fluoro-3-methylphenyl)methanol
SMILESCc1cc(C(O)c2c(Br)nnn2C)ccc1F
InChIInChI=1S/C11H11BrFN3O/c1-6-5-7(3-4-8(6)13)10(17)9-11(12)14-15-16(9)2/h3-5,10,17H,1-2H3
InChIKeyONCYFCVVBNOVAC-UHFFFAOYSA-N
MW300.13 g/mol
LogP2.11
Rot. Bonds2

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

(5-bromo-3-methyltriazol-4-yl)-(4-fluoro-3-methylphenyl)methanol (PubChem CID 106461204) has the molecular formula C11H11BrFN3O and a molecular weight of 300.13 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(4-fluoro-3-methylphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(4-fluoro-3-methylphenyl)methanol
PubChem CID106461204
Molecular FormulaC11H11BrFN3O
Molecular Weight300.13 g/mol
Exact Mass299.01
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(4-fluoro-3-methylphenyl)methanol
SMILESCc1cc(C(O)c2c(Br)nnn2C)ccc1F
InChIInChI=1S/C11H11BrFN3O/c1-6-5-7(3-4-8(6)13)10(17)9-11(12)14-15-16(9)2/h3-5,10,17H,1-2H3
InChIKeyONCYFCVVBNOVAC-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

(4-Fluorophenyl)(1-methyl-1H-1,2,3-triazol-4-yl)methanol
CID 124180140
[5-Bromo-3-(methoxymethyl)triazol-4-yl]-diphenylmethanol
CID 10761918
[5-[(4-Fluorophenyl)methyl]-1-propyltriazol-4-yl]methanol
CID 82204986
[1-Butyl-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanol
CID 82205367
[5-[(4-Fluorophenyl)methyl]-1-pentyltriazol-4-yl]methanol
CID 82205720
[1-Ethyl-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanol
CID 82207310
[5-[(4-Fluorophenyl)methyl]-1-methyltriazol-4-yl]methanol
CID 82207725
2-[5-[(4-Fluorophenyl)methyl]-4-(hydroxymethyl)triazol-1-yl]ethanol
CID 82209999
3-[5-[(4-Fluorophenyl)methyl]-4-(hydroxymethyl)triazol-1-yl]propane-1,2-diol
CID 82210282
[3-Octyl-5-(trifluoromethyl)triazol-4-yl]-phenylmethanol
CID 101854991
(5-Bromo-3-methyltriazol-4-yl)-(4-fluoronaphthalen-1-yl)methanol
CID 105602734
1-(5-Bromo-3-methyltriazol-4-yl)-1-(4-fluorophenyl)ethanol
CID 106461067

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(4-fluoro-3-methylphenyl)methanol?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(4-fluoro-3-methylphenyl)methanol (CID 106461204) is (5-bromo-3-methyltriazol-4-yl)-(4-fluoro-3-methylphenyl)methanol.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(4-fluoro-3-methylphenyl)methanol?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(4-fluoro-3-methylphenyl)methanol is Cc1cc(C(O)c2c(Br)nnn2C)ccc1F.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(4-fluoro-3-methylphenyl)methanol?
The InChIKey is ONCYFCVVBNOVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3O/c1-6-5-7(3-4-8(6)13)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)-(4-fluoro-3-methylphenyl)methanol?
(5-bromo-3-methyltriazol-4-yl)-(4-fluoro-3-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)-(4-fluoro-3-methylphenyl)methanol is sourced from PubChem (CID 106461204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).