3-(6-chloroindazol-1-yl)propanoic acid

C10H9ClN2O2 — CID 82018077

IUPAC3-(6-chloroindazol-1-yl)propanoic acid
SMILESO=C(O)CCn1ncc2ccc(Cl)cc21
InChIInChI=1S/C10H9ClN2O2/c11-8-2-1-7-6-12-13(9(7)5-8)4-3-10(14)15/h1-2,5-6H,3-4H2,(H,14,15)
InChIKeyUVDXMZQBAUASHE-UHFFFAOYSA-N
MW224.65 g/mol
LogP2.16
Rot. Bonds3

About 3-(6-chloroindazol-1-yl)propanoic acid

3-(6-chloroindazol-1-yl)propanoic acid (PubChem CID 82018077) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 3-(6-chloroindazol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-chloroindazol-1-yl)propanoic acid
PubChem CID82018077
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name3-(6-chloroindazol-1-yl)propanoic acid
SMILESO=C(O)CCn1ncc2ccc(Cl)cc21
InChIInChI=1S/C10H9ClN2O2/c11-8-2-1-7-6-12-13(9(7)5-8)4-3-10(14)15/h1-2,5-6H,3-4H2,(H,14,15)
InChIKeyUVDXMZQBAUASHE-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloroindazol-1-yl)propanoic acid?
The IUPAC name of 3-(6-chloroindazol-1-yl)propanoic acid (CID 82018077) is 3-(6-chloroindazol-1-yl)propanoic acid.
What is the SMILES notation for 3-(6-chloroindazol-1-yl)propanoic acid?
The canonical SMILES for 3-(6-chloroindazol-1-yl)propanoic acid is O=C(O)CCn1ncc2ccc(Cl)cc21.
What is the InChIKey of 3-(6-chloroindazol-1-yl)propanoic acid?
The InChIKey is UVDXMZQBAUASHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c11-8-2-1-7-6-12-13(9(7)5-8)4-3-10(14)15/h1-2,5-6H,3-4H2,(H,14,15).
What are the key properties of 3-(6-chloroindazol-1-yl)propanoic acid?
3-(6-chloroindazol-1-yl)propanoic acid has a molecular weight of 224.65 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloroindazol-1-yl)propanoic acid is sourced from PubChem (CID 82018077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).