3-(5-fluoro-3-methylindazol-2-yl)-2-methylpropanoic acid

C12H13FN2O2 — CID 84727251

IUPAC3-(5-fluoro-3-methylindazol-2-yl)-2-methylpropanoic acid
SMILESCc1c2cc(F)ccc2nn1CC(C)C(=O)O
InChIInChI=1S/C12H13FN2O2/c1-7(12(16)17)6-15-8(2)10-5-9(13)3-4-11(10)14-15/h3-5,7H,6H2,1-2H3,(H,16,17)
InChIKeyPAABSVANVFQZQW-UHFFFAOYSA-N
MW236.25 g/mol
LogP2.20
Rot. Bonds3

About 3-(5-fluoro-3-methylindazol-2-yl)-2-methylpropanoic acid

3-(5-fluoro-3-methylindazol-2-yl)-2-methylpropanoic acid (PubChem CID 84727251) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 3-(5-fluoro-3-methylindazol-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(5-fluoro-3-methylindazol-2-yl)-2-methylpropanoic acid
PubChem CID84727251
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name3-(5-fluoro-3-methylindazol-2-yl)-2-methylpropanoic acid
SMILESCc1c2cc(F)ccc2nn1CC(C)C(=O)O
InChIInChI=1S/C12H13FN2O2/c1-7(12(16)17)6-15-8(2)10-5-9(13)3-4-11(10)14-15/h3-5,7H,6H2,1-2H3,(H,16,17)
InChIKeyPAABSVANVFQZQW-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethylindazol-2-yl)-2-methylpropanoic acid
CID 84726640
(2R)-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoic acid
CID 7258416
3-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-2-methylpropanoic acid
CID 132586017
(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid
CID 845395
(2S)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
CID 7017099
3-[5-(6-fluoro-1-benzothiophen-2-yl)tetrazol-1-yl]-2-methylpropanoic acid
CID 81106872
3-[3,5-dibromo-4-[3-methyl-2-(2-methylpropyl)indazol-5-yl]oxyphenyl]-2-fluoropropanoic acid
CID 87483802
3-chloro-2-ethyl-5-fluoroindazole
CID 84721028
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide
CID 4865310
2-(3-methyl-2-propan-2-ylindazol-5-yl)acetic acid
CID 84726632
3-(5-fluoro-3-methyl-1H-indol-2-yl)-2-methylpropanoic acid
CID 83859681
2-(5-fluoro-2-methyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid
CID 115072997

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-3-methylindazol-2-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(5-fluoro-3-methylindazol-2-yl)-2-methylpropanoic acid (CID 84727251) is 3-(5-fluoro-3-methylindazol-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(5-fluoro-3-methylindazol-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(5-fluoro-3-methylindazol-2-yl)-2-methylpropanoic acid is Cc1c2cc(F)ccc2nn1CC(C)C(=O)O.
What is the InChIKey of 3-(5-fluoro-3-methylindazol-2-yl)-2-methylpropanoic acid?
The InChIKey is PAABSVANVFQZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-7(12(16)17)6-15-8(2)10-5-9(13)3-4-11(10)14-15/h3-5,7H,6H2,1-2H3,(H,16,17).
What are the key properties of 3-(5-fluoro-3-methylindazol-2-yl)-2-methylpropanoic acid?
3-(5-fluoro-3-methylindazol-2-yl)-2-methylpropanoic acid has a molecular weight of 236.25 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-3-methylindazol-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 84727251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).