2-(5-fluoro-3-methylindazol-1-yl)acetic acid

C10H9FN2O2 — CID 84675846

IUPAC2-(5-fluoro-3-methylindazol-1-yl)acetic acid
SMILESCc1nn(CC(=O)O)c2ccc(F)cc12
InChIInChI=1S/C10H9FN2O2/c1-6-8-4-7(11)2-3-9(8)13(12-6)5-10(14)15/h2-4H,5H2,1H3,(H,14,15)
InChIKeyXAPLLYADLVXFOI-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.57
Rot. Bonds2

About 2-(5-fluoro-3-methylindazol-1-yl)acetic acid

2-(5-fluoro-3-methylindazol-1-yl)acetic acid (PubChem CID 84675846) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is 2-(5-fluoro-3-methylindazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-fluoro-3-methylindazol-1-yl)acetic acid
PubChem CID84675846
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name2-(5-fluoro-3-methylindazol-1-yl)acetic acid
SMILESCc1nn(CC(=O)O)c2ccc(F)cc12
InChIInChI=1S/C10H9FN2O2/c1-6-8-4-7(11)2-3-9(8)13(12-6)5-10(14)15/h2-4H,5H2,1H3,(H,14,15)
InChIKeyXAPLLYADLVXFOI-UHFFFAOYSA-N
XLogP1.57
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-iodo-5-methylindazol-1-yl)acetic acid
CID 71223562
2-[4-bromo-5-(4-fluorophenyl)-3-methylpyrazol-1-yl]acetic acid
CID 68662783
3-(5-chloro-3-methylindazol-1-yl)propanoic acid
CID 84700878
2-[3,5-di(propan-2-yl)indazol-1-yl]acetic acid
CID 58499284
2-[3-iodo-5-(trifluoromethyl)indazol-1-yl]acetic acid
CID 71223421
2-(4-methoxy-3-methylindazol-1-yl)acetic acid
CID 84685422
2-(3-benzylsulfonyl-6-fluoroindazol-1-yl)acetic acid
CID 70170629
2-(7-bromo-3-methylindazol-1-yl)acetic acid
CID 84712293
2-(3-carbamoyl-5-hydroxyindazol-1-yl)acetic acid
CID 118324897
2-[5-amino-3-(4-fluorophenyl)pyrazol-1-yl]acetic acid
CID 63277377
2-[3-(4-fluorobenzoyl)-6-methoxyindazol-1-yl]acetic acid
CID 170857608
2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-5-fluoroindazol-1-yl]acetic acid
CID 71222559

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-methylindazol-1-yl)acetic acid?
The IUPAC name of 2-(5-fluoro-3-methylindazol-1-yl)acetic acid (CID 84675846) is 2-(5-fluoro-3-methylindazol-1-yl)acetic acid.
What is the SMILES notation for 2-(5-fluoro-3-methylindazol-1-yl)acetic acid?
The canonical SMILES for 2-(5-fluoro-3-methylindazol-1-yl)acetic acid is Cc1nn(CC(=O)O)c2ccc(F)cc12.
What is the InChIKey of 2-(5-fluoro-3-methylindazol-1-yl)acetic acid?
The InChIKey is XAPLLYADLVXFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c1-6-8-4-7(11)2-3-9(8)13(12-6)5-10(14)15/h2-4H,5H2,1H3,(H,14,15).
What are the key properties of 2-(5-fluoro-3-methylindazol-1-yl)acetic acid?
2-(5-fluoro-3-methylindazol-1-yl)acetic acid has a molecular weight of 208.19 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-methylindazol-1-yl)acetic acid is sourced from PubChem (CID 84675846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).