2-(7-chloro-2H-indazol-3-yl)propanoic acid

C10H9ClN2O2 — CID 83911078

IUPAC2-(7-chloro-2H-indazol-3-yl)propanoic acid
SMILESCC(C(=O)O)c1[nH]nc2c(Cl)cccc12
InChIInChI=1S/C10H9ClN2O2/c1-5(10(14)15)8-6-3-2-4-7(11)9(6)13-12-8/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKeyWHWAEMIJLIBATO-UHFFFAOYSA-N
MW224.65 g/mol
LogP2.40
Rot. Bonds2

About 2-(7-chloro-2H-indazol-3-yl)propanoic acid

2-(7-chloro-2H-indazol-3-yl)propanoic acid (PubChem CID 83911078) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 2-(7-chloro-2H-indazol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(7-chloro-2H-indazol-3-yl)propanoic acid
PubChem CID83911078
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name2-(7-chloro-2H-indazol-3-yl)propanoic acid
SMILESCC(C(=O)O)c1[nH]nc2c(Cl)cccc12
InChIInChI=1S/C10H9ClN2O2/c1-5(10(14)15)8-6-3-2-4-7(11)9(6)13-12-8/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKeyWHWAEMIJLIBATO-UHFFFAOYSA-N
XLogP2.40
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-2H-indazol-3-yl)propanoic acid?
The IUPAC name of 2-(7-chloro-2H-indazol-3-yl)propanoic acid (CID 83911078) is 2-(7-chloro-2H-indazol-3-yl)propanoic acid.
What is the SMILES notation for 2-(7-chloro-2H-indazol-3-yl)propanoic acid?
The canonical SMILES for 2-(7-chloro-2H-indazol-3-yl)propanoic acid is CC(C(=O)O)c1[nH]nc2c(Cl)cccc12.
What is the InChIKey of 2-(7-chloro-2H-indazol-3-yl)propanoic acid?
The InChIKey is WHWAEMIJLIBATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-5(10(14)15)8-6-3-2-4-7(11)9(6)13-12-8/h2-5H,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-(7-chloro-2H-indazol-3-yl)propanoic acid?
2-(7-chloro-2H-indazol-3-yl)propanoic acid has a molecular weight of 224.65 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-2H-indazol-3-yl)propanoic acid is sourced from PubChem (CID 83911078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).