3-(3-bromo-2H-indazol-5-yl)propan-1-ol

C10H11BrN2O — CID 117390333

IUPAC3-(3-bromo-2H-indazol-5-yl)propan-1-ol
SMILESOCCCc1ccc2n[nH]c(Br)c2c1
InChIInChI=1S/C10H11BrN2O/c11-10-8-6-7(2-1-5-14)3-4-9(8)12-13-10/h3-4,6,14H,1-2,5H2,(H,12,13)
InChIKeyIRNZROWPTVEJOD-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.25
Rot. Bonds3

About 3-(3-bromo-2H-indazol-5-yl)propan-1-ol

3-(3-bromo-2H-indazol-5-yl)propan-1-ol (PubChem CID 117390333) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 3-(3-bromo-2H-indazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-(3-bromo-2H-indazol-5-yl)propan-1-ol
PubChem CID117390333
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name3-(3-bromo-2H-indazol-5-yl)propan-1-ol
SMILESOCCCc1ccc2n[nH]c(Br)c2c1
InChIInChI=1S/C10H11BrN2O/c11-10-8-6-7(2-1-5-14)3-4-9(8)12-13-10/h3-4,6,14H,1-2,5H2,(H,12,13)
InChIKeyIRNZROWPTVEJOD-UHFFFAOYSA-N
XLogP2.25
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2H-indazol-5-yl)propan-1-ol?
The IUPAC name of 3-(3-bromo-2H-indazol-5-yl)propan-1-ol (CID 117390333) is 3-(3-bromo-2H-indazol-5-yl)propan-1-ol.
What is the SMILES notation for 3-(3-bromo-2H-indazol-5-yl)propan-1-ol?
The canonical SMILES for 3-(3-bromo-2H-indazol-5-yl)propan-1-ol is OCCCc1ccc2n[nH]c(Br)c2c1.
What is the InChIKey of 3-(3-bromo-2H-indazol-5-yl)propan-1-ol?
The InChIKey is IRNZROWPTVEJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c11-10-8-6-7(2-1-5-14)3-4-9(8)12-13-10/h3-4,6,14H,1-2,5H2,(H,12,13).
What are the key properties of 3-(3-bromo-2H-indazol-5-yl)propan-1-ol?
3-(3-bromo-2H-indazol-5-yl)propan-1-ol has a molecular weight of 255.11 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2H-indazol-5-yl)propan-1-ol is sourced from PubChem (CID 117390333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).