[3-(6-bromoindazol-1-yl)phenyl]methanol

C14H11BrN2O — CID 118664046

IUPAC[3-(6-bromoindazol-1-yl)phenyl]methanol
SMILESOCc1cccc(-n2ncc3ccc(Br)cc32)c1
InChIInChI=1S/C14H11BrN2O/c15-12-5-4-11-8-16-17(14(11)7-12)13-3-1-2-10(6-13)9-18/h1-8,18H,9H2
InChIKeyHIMXCROMVIJZQQ-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.28
Rot. Bonds2

About [3-(6-bromoindazol-1-yl)phenyl]methanol

[3-(6-bromoindazol-1-yl)phenyl]methanol (PubChem CID 118664046) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is [3-(6-bromoindazol-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-(6-bromoindazol-1-yl)phenyl]methanol
PubChem CID118664046
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC Name[3-(6-bromoindazol-1-yl)phenyl]methanol
SMILESOCc1cccc(-n2ncc3ccc(Br)cc32)c1
InChIInChI=1S/C14H11BrN2O/c15-12-5-4-11-8-16-17(14(11)7-12)13-3-1-2-10(6-13)9-18/h1-8,18H,9H2
InChIKeyHIMXCROMVIJZQQ-UHFFFAOYSA-N
XLogP3.28
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(6-bromoindazol-1-yl)phenyl]methanol?
The IUPAC name of [3-(6-bromoindazol-1-yl)phenyl]methanol (CID 118664046) is [3-(6-bromoindazol-1-yl)phenyl]methanol.
What is the SMILES notation for [3-(6-bromoindazol-1-yl)phenyl]methanol?
The canonical SMILES for [3-(6-bromoindazol-1-yl)phenyl]methanol is OCc1cccc(-n2ncc3ccc(Br)cc32)c1.
What is the InChIKey of [3-(6-bromoindazol-1-yl)phenyl]methanol?
The InChIKey is HIMXCROMVIJZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O/c15-12-5-4-11-8-16-17(14(11)7-12)13-3-1-2-10(6-13)9-18/h1-8,18H,9H2.
What are the key properties of [3-(6-bromoindazol-1-yl)phenyl]methanol?
[3-(6-bromoindazol-1-yl)phenyl]methanol has a molecular weight of 303.16 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-bromoindazol-1-yl)phenyl]methanol is sourced from PubChem (CID 118664046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).