2-(3-bromo-1-methylindazol-6-yl)propanoic acid

C11H11BrN2O2 — CID 84730683

IUPAC2-(3-bromo-1-methylindazol-6-yl)propanoic acid
SMILESCC(C(=O)O)c1ccc2c(Br)nn(C)c2c1
InChIInChI=1S/C11H11BrN2O2/c1-6(11(15)16)7-3-4-8-9(5-7)14(2)13-10(8)12/h3-6H,1-2H3,(H,15,16)
InChIKeyQSRAYSYFUAQLHO-UHFFFAOYSA-N
MW283.13 g/mol
LogP2.52
Rot. Bonds2

About 2-(3-bromo-1-methylindazol-6-yl)propanoic acid

2-(3-bromo-1-methylindazol-6-yl)propanoic acid (PubChem CID 84730683) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.13 g/mol. Its IUPAC name is 2-(3-bromo-1-methylindazol-6-yl)propanoic acid.

Molecular Properties

Compound Name2-(3-bromo-1-methylindazol-6-yl)propanoic acid
PubChem CID84730683
Molecular FormulaC11H11BrN2O2
Molecular Weight283.13 g/mol
Exact Mass282.00
IUPAC Name2-(3-bromo-1-methylindazol-6-yl)propanoic acid
SMILESCC(C(=O)O)c1ccc2c(Br)nn(C)c2c1
InChIInChI=1S/C11H11BrN2O2/c1-6(11(15)16)7-3-4-8-9(5-7)14(2)13-10(8)12/h3-6H,1-2H3,(H,15,16)
InChIKeyQSRAYSYFUAQLHO-UHFFFAOYSA-N
XLogP2.52
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-bromoimidazo[1,5-a]pyridin-7-yl)propanoic acid
CID 83903023
3,6-dibromo-1-methylindazole
CID 76846072
(2S)-2-(6-chloro-9-methylcarbazol-2-yl)propanoic acid
CID 124518181
1-(3-bromo-1-methylindazol-6-yl)cyclobutane-1-carboxylic acid
CID 117493871
N-(3-bromo-1-methylindazol-6-yl)prop-2-enamide
CID 166431642
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
2-(3-propan-2-yl-2H-indazol-6-yl)propanoic acid
CID 105491045
2-(3-chloro-4-propan-2-ylphenyl)propanoic acid
CID 84791168
1-(3-chloro-1-methylindazol-6-yl)ethanol
CID 84678090
2-(1-chloroimidazo[1,5-a]pyridin-7-yl)propanoic acid
CID 83891952
2-[3-bromo-4-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid
CID 117499178
2-(3,4-dihydroxyphenyl)propanoic acid
CID 20848968

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-1-methylindazol-6-yl)propanoic acid?
The IUPAC name of 2-(3-bromo-1-methylindazol-6-yl)propanoic acid (CID 84730683) is 2-(3-bromo-1-methylindazol-6-yl)propanoic acid.
What is the SMILES notation for 2-(3-bromo-1-methylindazol-6-yl)propanoic acid?
The canonical SMILES for 2-(3-bromo-1-methylindazol-6-yl)propanoic acid is CC(C(=O)O)c1ccc2c(Br)nn(C)c2c1.
What is the InChIKey of 2-(3-bromo-1-methylindazol-6-yl)propanoic acid?
The InChIKey is QSRAYSYFUAQLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-6(11(15)16)7-3-4-8-9(5-7)14(2)13-10(8)12/h3-6H,1-2H3,(H,15,16).
What are the key properties of 2-(3-bromo-1-methylindazol-6-yl)propanoic acid?
2-(3-bromo-1-methylindazol-6-yl)propanoic acid has a molecular weight of 283.13 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-1-methylindazol-6-yl)propanoic acid is sourced from PubChem (CID 84730683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).