[1-(2-bromo-4,6-difluorophenyl)triazol-4-yl]methanol

C9H6BrF2N3O — CID 62399761

IUPAC[1-(2-bromo-4,6-difluorophenyl)triazol-4-yl]methanol
SMILESOCc1cn(-c2c(F)cc(F)cc2Br)nn1
InChIInChI=1S/C9H6BrF2N3O/c10-7-1-5(11)2-8(12)9(7)15-3-6(4-16)13-14-15/h1-3,16H,4H2
InChIKeyOLLVKTQCQDPOJP-UHFFFAOYSA-N
MW290.07 g/mol
LogP1.80
Rot. Bonds2

About [1-(2-bromo-4,6-difluorophenyl)triazol-4-yl]methanol

[1-(2-bromo-4,6-difluorophenyl)triazol-4-yl]methanol (PubChem CID 62399761) has the molecular formula C9H6BrF2N3O and a molecular weight of 290.07 g/mol. Its IUPAC name is [1-(2-bromo-4,6-difluorophenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-bromo-4,6-difluorophenyl)triazol-4-yl]methanol
PubChem CID62399761
Molecular FormulaC9H6BrF2N3O
Molecular Weight290.07 g/mol
Exact Mass288.97
IUPAC Name[1-(2-bromo-4,6-difluorophenyl)triazol-4-yl]methanol
SMILESOCc1cn(-c2c(F)cc(F)cc2Br)nn1
InChIInChI=1S/C9H6BrF2N3O/c10-7-1-5(11)2-8(12)9(7)15-3-6(4-16)13-14-15/h1-3,16H,4H2
InChIKeyOLLVKTQCQDPOJP-UHFFFAOYSA-N
XLogP1.80
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.07
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-4,6-difluorophenyl)triazol-4-yl]methanol?
The IUPAC name of [1-(2-bromo-4,6-difluorophenyl)triazol-4-yl]methanol (CID 62399761) is [1-(2-bromo-4,6-difluorophenyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(2-bromo-4,6-difluorophenyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(2-bromo-4,6-difluorophenyl)triazol-4-yl]methanol is OCc1cn(-c2c(F)cc(F)cc2Br)nn1.
What is the InChIKey of [1-(2-bromo-4,6-difluorophenyl)triazol-4-yl]methanol?
The InChIKey is OLLVKTQCQDPOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF2N3O/c10-7-1-5(11)2-8(12)9(7)15-3-6(4-16)13-14-15/h1-3,16H,4H2.
What are the key properties of [1-(2-bromo-4,6-difluorophenyl)triazol-4-yl]methanol?
[1-(2-bromo-4,6-difluorophenyl)triazol-4-yl]methanol has a molecular weight of 290.07 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-4,6-difluorophenyl)triazol-4-yl]methanol is sourced from PubChem (CID 62399761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).