[4-(6-bromo-1H-indazol-3-yl)-3-fluorophenyl]methanol

C14H10BrFN2O — CID 138734312

IUPAC[4-(6-bromo-1H-indazol-3-yl)-3-fluorophenyl]methanol
SMILESOCc1ccc(-c2n[nH]c3cc(Br)ccc23)c(F)c1
InChIInChI=1S/C14H10BrFN2O/c15-9-2-4-11-13(6-9)17-18-14(11)10-3-1-8(7-19)5-12(10)16/h1-6,19H,7H2,(H,17,18)
InChIKeyXENYZQLZYIUJRI-UHFFFAOYSA-N
MW321.15 g/mol
LogP3.62
Rot. Bonds2

About [4-(6-bromo-1H-indazol-3-yl)-3-fluorophenyl]methanol

[4-(6-bromo-1H-indazol-3-yl)-3-fluorophenyl]methanol (PubChem CID 138734312) has the molecular formula C14H10BrFN2O and a molecular weight of 321.15 g/mol. Its IUPAC name is [4-(6-bromo-1H-indazol-3-yl)-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-(6-bromo-1H-indazol-3-yl)-3-fluorophenyl]methanol
PubChem CID138734312
Molecular FormulaC14H10BrFN2O
Molecular Weight321.15 g/mol
Exact Mass320.00
IUPAC Name[4-(6-bromo-1H-indazol-3-yl)-3-fluorophenyl]methanol
SMILESOCc1ccc(-c2n[nH]c3cc(Br)ccc23)c(F)c1
InChIInChI=1S/C14H10BrFN2O/c15-9-2-4-11-13(6-9)17-18-14(11)10-3-1-8(7-19)5-12(10)16/h1-6,19H,7H2,(H,17,18)
InChIKeyXENYZQLZYIUJRI-UHFFFAOYSA-N
XLogP3.62
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(6-bromo-1H-indazol-3-yl)-3-fluorophenyl]methanol?
The IUPAC name of [4-(6-bromo-1H-indazol-3-yl)-3-fluorophenyl]methanol (CID 138734312) is [4-(6-bromo-1H-indazol-3-yl)-3-fluorophenyl]methanol.
What is the SMILES notation for [4-(6-bromo-1H-indazol-3-yl)-3-fluorophenyl]methanol?
The canonical SMILES for [4-(6-bromo-1H-indazol-3-yl)-3-fluorophenyl]methanol is OCc1ccc(-c2n[nH]c3cc(Br)ccc23)c(F)c1.
What is the InChIKey of [4-(6-bromo-1H-indazol-3-yl)-3-fluorophenyl]methanol?
The InChIKey is XENYZQLZYIUJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O/c15-9-2-4-11-13(6-9)17-18-14(11)10-3-1-8(7-19)5-12(10)16/h1-6,19H,7H2,(H,17,18).
What are the key properties of [4-(6-bromo-1H-indazol-3-yl)-3-fluorophenyl]methanol?
[4-(6-bromo-1H-indazol-3-yl)-3-fluorophenyl]methanol has a molecular weight of 321.15 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-bromo-1H-indazol-3-yl)-3-fluorophenyl]methanol is sourced from PubChem (CID 138734312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).