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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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).