2-amino-2-(5-bromo-2H-indazol-3-yl)acetic acid

C9H8BrN3O2 — CID 83913593

IUPAC2-amino-2-(5-bromo-2H-indazol-3-yl)acetic acid
SMILESNC(C(=O)O)c1[nH]nc2ccc(Br)cc12
InChIInChI=1S/C9H8BrN3O2/c10-4-1-2-6-5(3-4)8(13-12-6)7(11)9(14)15/h1-3,7H,11H2,(H,12,13)(H,14,15)
InChIKeyQXFSPPIJLWEVJC-UHFFFAOYSA-N
MW270.09 g/mol
LogP1.41
Rot. Bonds2

About 2-amino-2-(5-bromo-2H-indazol-3-yl)acetic acid

2-amino-2-(5-bromo-2H-indazol-3-yl)acetic acid (PubChem CID 83913593) has the molecular formula C9H8BrN3O2 and a molecular weight of 270.09 g/mol. Its IUPAC name is 2-amino-2-(5-bromo-2H-indazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(5-bromo-2H-indazol-3-yl)acetic acid
PubChem CID83913593
Molecular FormulaC9H8BrN3O2
Molecular Weight270.09 g/mol
Exact Mass268.98
IUPAC Name2-amino-2-(5-bromo-2H-indazol-3-yl)acetic acid
SMILESNC(C(=O)O)c1[nH]nc2ccc(Br)cc12
InChIInChI=1S/C9H8BrN3O2/c10-4-1-2-6-5(3-4)8(13-12-6)7(11)9(14)15/h1-3,7H,11H2,(H,12,13)(H,14,15)
InChIKeyQXFSPPIJLWEVJC-UHFFFAOYSA-N
XLogP1.41
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2H-indazol-3-yl)-2-methylpropan-1-amine
CID 83913468
5-bromo-3-iodo-2H-indazole
CID 23156224
5-bromo-3-(fluoromethyl)-2H-indazole
CID 84692330
5-bromo-3-fluoro-2H-indazole
CID 66793399
ethyl 2-(5-bromo-2H-indazol-3-yl)acetate
CID 54553122
(2R)-2-amino-2-(3-bromophenyl)acetic acid
CID 7033009
5-bromo-3-methylsulfonyl-2H-indazole
CID 54229595
3-benzyl-5-bromo-2H-indazole
CID 66915538
1-(5-bromo-2H-indazol-3-yl)cyclopropan-1-amine
CID 175349705
3-bromo-1-(6-bromo-2H-indazol-3-yl)propane-1,2-diol
CID 171861112
5-bromo-1H-indazole-3-carboxylate
CID 7157357
(2S)-2-[(6-bromoquinazolin-4-yl)amino]-3-methylbutanoic acid
CID 725459

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-bromo-2H-indazol-3-yl)acetic acid?
The IUPAC name of 2-amino-2-(5-bromo-2H-indazol-3-yl)acetic acid (CID 83913593) is 2-amino-2-(5-bromo-2H-indazol-3-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(5-bromo-2H-indazol-3-yl)acetic acid?
The canonical SMILES for 2-amino-2-(5-bromo-2H-indazol-3-yl)acetic acid is NC(C(=O)O)c1[nH]nc2ccc(Br)cc12.
What is the InChIKey of 2-amino-2-(5-bromo-2H-indazol-3-yl)acetic acid?
The InChIKey is QXFSPPIJLWEVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O2/c10-4-1-2-6-5(3-4)8(13-12-6)7(11)9(14)15/h1-3,7H,11H2,(H,12,13)(H,14,15).
What are the key properties of 2-amino-2-(5-bromo-2H-indazol-3-yl)acetic acid?
2-amino-2-(5-bromo-2H-indazol-3-yl)acetic acid has a molecular weight of 270.09 g/mol, XLogP of 1.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-bromo-2H-indazol-3-yl)acetic acid is sourced from PubChem (CID 83913593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).