3-(7-bromoindazol-2-yl)propanoic acid

C10H9BrN2O2 — CID 84729974

IUPAC3-(7-bromoindazol-2-yl)propanoic acid
SMILESO=C(O)CCn1cc2cccc(Br)c2n1
InChIInChI=1S/C10H9BrN2O2/c11-8-3-1-2-7-6-13(12-10(7)8)5-4-9(14)15/h1-3,6H,4-5H2,(H,14,15)
InChIKeyBALCPCLTZWQISY-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.27
Rot. Bonds3

About 3-(7-bromoindazol-2-yl)propanoic acid

3-(7-bromoindazol-2-yl)propanoic acid (PubChem CID 84729974) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 3-(7-bromoindazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(7-bromoindazol-2-yl)propanoic acid
PubChem CID84729974
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name3-(7-bromoindazol-2-yl)propanoic acid
SMILESO=C(O)CCn1cc2cccc(Br)c2n1
InChIInChI=1S/C10H9BrN2O2/c11-8-3-1-2-7-6-13(12-10(7)8)5-4-9(14)15/h1-3,6H,4-5H2,(H,14,15)
InChIKeyBALCPCLTZWQISY-UHFFFAOYSA-N
XLogP2.27
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-bromoindazol-2-yl)ethanamine
CID 83397827
7-bromo-2-(2,2,2-trifluoroethyl)indazole
CID 67476895
3-(5-bromoindazol-2-yl)propanoic acid
CID 84729968
3-(2-amino-4-bromobenzimidazol-1-yl)propanoic acid
CID 84739104
7-bromo-2-methylindazole;ethane
CID 155591280
2-(7-fluoroindazol-2-yl)acetic acid
CID 83397789
3-(8-bromoquinolin-3-yl)propanoic acid
CID 82667595
3-(7-bromo-2-methylbenzimidazol-1-yl)propanoic acid
CID 84812557
3-(7-bromobenzotriazol-1-yl)propanoic acid
CID 83681324
3-(5-bromo-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid
CID 84645039
2-(8-bromo-2-chloroquinolin-3-yl)acetic acid
CID 84644580
3-(3-bromo-2-oxo-1-pyridinyl)propanoic acid
CID 82146616

Frequently Asked Questions

What is the IUPAC name of 3-(7-bromoindazol-2-yl)propanoic acid?
The IUPAC name of 3-(7-bromoindazol-2-yl)propanoic acid (CID 84729974) is 3-(7-bromoindazol-2-yl)propanoic acid.
What is the SMILES notation for 3-(7-bromoindazol-2-yl)propanoic acid?
The canonical SMILES for 3-(7-bromoindazol-2-yl)propanoic acid is O=C(O)CCn1cc2cccc(Br)c2n1.
What is the InChIKey of 3-(7-bromoindazol-2-yl)propanoic acid?
The InChIKey is BALCPCLTZWQISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c11-8-3-1-2-7-6-13(12-10(7)8)5-4-9(14)15/h1-3,6H,4-5H2,(H,14,15).
What are the key properties of 3-(7-bromoindazol-2-yl)propanoic acid?
3-(7-bromoindazol-2-yl)propanoic acid has a molecular weight of 269.10 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-bromoindazol-2-yl)propanoic acid is sourced from PubChem (CID 84729974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).