(5-bromo-3-methyltriazol-4-yl)-(2,6-difluorophenyl)methanol

C10H8BrF2N3O — CID 106461171

IUPAC(5-bromo-3-methyltriazol-4-yl)-(2,6-difluorophenyl)methanol
SMILESCn1nnc(Br)c1C(O)c1c(F)cccc1F
InChIInChI=1S/C10H8BrF2N3O/c1-16-8(10(11)14-15-16)9(17)7-5(12)3-2-4-6(7)13/h2-4,9,17H,1H3
InChIKeyDAQTUJJICKWVNN-UHFFFAOYSA-N
MW304.09 g/mol
LogP1.94
Rot. Bonds2

About (5-bromo-3-methyltriazol-4-yl)-(2,6-difluorophenyl)methanol

(5-bromo-3-methyltriazol-4-yl)-(2,6-difluorophenyl)methanol (PubChem CID 106461171) has the molecular formula C10H8BrF2N3O and a molecular weight of 304.09 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(2,6-difluorophenyl)methanol.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(2,6-difluorophenyl)methanol
PubChem CID106461171
Molecular FormulaC10H8BrF2N3O
Molecular Weight304.09 g/mol
Exact Mass302.98
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(2,6-difluorophenyl)methanol
SMILESCn1nnc(Br)c1C(O)c1c(F)cccc1F
InChIInChI=1S/C10H8BrF2N3O/c1-16-8(10(11)14-15-16)9(17)7-5(12)3-2-4-6(7)13/h2-4,9,17H,1H3
InChIKeyDAQTUJJICKWVNN-UHFFFAOYSA-N
XLogP1.94
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.09
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-(2-Fluorophenyl)-1-methyl-1H-1,2,3-triazol-5-yl)methanol
CID 67498210
[5-(4-Fluoro-phenyl)-3-methyl-3H-[1,2,3]triazol-4-yl]-methanol
CID 67498408
[5-(3,4-Difluorophenyl)-3-methyltriazol-4-yl]methanol
CID 90021444
(4-Fluorophenyl)(1-methyl-1H-1,2,3-triazol-4-yl)methanol
CID 124180140
[5-(2,4-Difluorophenyl)-3-methyltriazol-4-yl]methanol
CID 157046445
[5-Bromo-3-(methoxymethyl)triazol-4-yl]-diphenylmethanol
CID 10761918
[5-[(4-Fluorophenyl)methyl]-1-prop-2-enyltriazol-4-yl]methanol
CID 82204576
[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
[5-[(4-Fluorophenyl)methyl]-1-hexyltriazol-4-yl]methanol
CID 82206016
[5-[(4-Fluorophenyl)methyl]-1-propan-2-yltriazol-4-yl]methanol
CID 82206901

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(2,6-difluorophenyl)methanol?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(2,6-difluorophenyl)methanol (CID 106461171) is (5-bromo-3-methyltriazol-4-yl)-(2,6-difluorophenyl)methanol.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(2,6-difluorophenyl)methanol?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(2,6-difluorophenyl)methanol is Cn1nnc(Br)c1C(O)c1c(F)cccc1F.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(2,6-difluorophenyl)methanol?
The InChIKey is DAQTUJJICKWVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF2N3O/c1-16-8(10(11)14-15-16)9(17)7-5(12)3-2-4-6(7)13/h2-4,9,17H,1H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(2,6-difluorophenyl)methanol?
(5-bromo-3-methyltriazol-4-yl)-(2,6-difluorophenyl)methanol has a molecular weight of 304.09 g/mol, XLogP of 1.94, 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)-(2,6-difluorophenyl)methanol is sourced from PubChem (CID 106461171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).