3-(5-chloro-3-methylindazol-1-yl)propanoic acid

C11H11ClN2O2 — CID 84700878

IUPAC3-(5-chloro-3-methylindazol-1-yl)propanoic acid
SMILESCc1nn(CCC(=O)O)c2ccc(Cl)cc12
InChIInChI=1S/C11H11ClN2O2/c1-7-9-6-8(12)2-3-10(9)14(13-7)5-4-11(15)16/h2-3,6H,4-5H2,1H3,(H,15,16)
InChIKeyCSXRAXBWOUJBLJ-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.47
Rot. Bonds3

About 3-(5-chloro-3-methylindazol-1-yl)propanoic acid

3-(5-chloro-3-methylindazol-1-yl)propanoic acid (PubChem CID 84700878) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 3-(5-chloro-3-methylindazol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-chloro-3-methylindazol-1-yl)propanoic acid
PubChem CID84700878
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name3-(5-chloro-3-methylindazol-1-yl)propanoic acid
SMILESCc1nn(CCC(=O)O)c2ccc(Cl)cc12
InChIInChI=1S/C11H11ClN2O2/c1-7-9-6-8(12)2-3-10(9)14(13-7)5-4-11(15)16/h2-3,6H,4-5H2,1H3,(H,15,16)
InChIKeyCSXRAXBWOUJBLJ-UHFFFAOYSA-N
XLogP2.47
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 118697828
2-(5-fluoro-3-methylindazol-1-yl)acetic acid
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5-chloro-3-ethyl-1-propylindazole
CID 123245201
3-(2-amino-5-chlorobenzimidazol-1-yl)propanoic acid
CID 82359358
3-[3,5-dimethyl-4-(4-methylphenyl)pyrazol-1-yl]propanoic acid
CID 82483431
(Z)-but-2-ene;4-(5-chloro-1-methylindol-3-yl)-4-oxobutanoic acid
CID 143232166
3-[4-(4-bromo-3-methylphenyl)-3,5-dimethylpyrazol-1-yl]propanoic acid
CID 84611200
3-(7-chloro-4-oxoquinolin-1-yl)propanoic acid
CID 53264256
1-[1-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]-3,5-dimethylpyrazol-4-yl]ethanone
CID 51861101
2-[6-chloro-4-(dimethylamino)-1-oxophthalazin-2-yl]acetic acid
CID 166097046
3-(7-chloro-1,2-dimethyl-4-oxoquinolin-3-yl)propanoic acid
CID 82248917
2-(5-chloro-3-phenylindazol-1-yl)-N,N-dimethylethanamine
CID 12819465

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-3-methylindazol-1-yl)propanoic acid?
The IUPAC name of 3-(5-chloro-3-methylindazol-1-yl)propanoic acid (CID 84700878) is 3-(5-chloro-3-methylindazol-1-yl)propanoic acid.
What is the SMILES notation for 3-(5-chloro-3-methylindazol-1-yl)propanoic acid?
The canonical SMILES for 3-(5-chloro-3-methylindazol-1-yl)propanoic acid is Cc1nn(CCC(=O)O)c2ccc(Cl)cc12.
What is the InChIKey of 3-(5-chloro-3-methylindazol-1-yl)propanoic acid?
The InChIKey is CSXRAXBWOUJBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-7-9-6-8(12)2-3-10(9)14(13-7)5-4-11(15)16/h2-3,6H,4-5H2,1H3,(H,15,16).
What are the key properties of 3-(5-chloro-3-methylindazol-1-yl)propanoic acid?
3-(5-chloro-3-methylindazol-1-yl)propanoic acid has a molecular weight of 238.67 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-3-methylindazol-1-yl)propanoic acid is sourced from PubChem (CID 84700878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).