2-amino-2-(6-fluoro-1-methylindazol-5-yl)acetic acid

C10H10FN3O2 — CID 83891027

IUPAC2-amino-2-(6-fluoro-1-methylindazol-5-yl)acetic acid
SMILESCn1ncc2cc(C(N)C(=O)O)c(F)cc21
InChIInChI=1S/C10H10FN3O2/c1-14-8-3-7(11)6(9(12)10(15)16)2-5(8)4-13-14/h2-4,9H,12H2,1H3,(H,15,16)
InChIKeyDEHKLELFOOYCDI-UHFFFAOYSA-N
MW223.21 g/mol
LogP0.80
Rot. Bonds2

About 2-amino-2-(6-fluoro-1-methylindazol-5-yl)acetic acid

2-amino-2-(6-fluoro-1-methylindazol-5-yl)acetic acid (PubChem CID 83891027) has the molecular formula C10H10FN3O2 and a molecular weight of 223.21 g/mol. Its IUPAC name is 2-amino-2-(6-fluoro-1-methylindazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(6-fluoro-1-methylindazol-5-yl)acetic acid
PubChem CID83891027
Molecular FormulaC10H10FN3O2
Molecular Weight223.21 g/mol
Exact Mass223.08
IUPAC Name2-amino-2-(6-fluoro-1-methylindazol-5-yl)acetic acid
SMILESCn1ncc2cc(C(N)C(=O)O)c(F)cc21
InChIInChI=1S/C10H10FN3O2/c1-14-8-3-7(11)6(9(12)10(15)16)2-5(8)4-13-14/h2-4,9H,12H2,1H3,(H,15,16)
InChIKeyDEHKLELFOOYCDI-UHFFFAOYSA-N
XLogP0.80
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(6-fluoro-1-methylindazol-5-yl)acetic acid?
The IUPAC name of 2-amino-2-(6-fluoro-1-methylindazol-5-yl)acetic acid (CID 83891027) is 2-amino-2-(6-fluoro-1-methylindazol-5-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(6-fluoro-1-methylindazol-5-yl)acetic acid?
The canonical SMILES for 2-amino-2-(6-fluoro-1-methylindazol-5-yl)acetic acid is Cn1ncc2cc(C(N)C(=O)O)c(F)cc21.
What is the InChIKey of 2-amino-2-(6-fluoro-1-methylindazol-5-yl)acetic acid?
The InChIKey is DEHKLELFOOYCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2/c1-14-8-3-7(11)6(9(12)10(15)16)2-5(8)4-13-14/h2-4,9H,12H2,1H3,(H,15,16).
What are the key properties of 2-amino-2-(6-fluoro-1-methylindazol-5-yl)acetic acid?
2-amino-2-(6-fluoro-1-methylindazol-5-yl)acetic acid has a molecular weight of 223.21 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(6-fluoro-1-methylindazol-5-yl)acetic acid is sourced from PubChem (CID 83891027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).