2-(3-bromo-7-hydroxy-1,4,5,6-tetrahydroindazol-7-yl)acetic acid

C9H11BrN2O3 — CID 83913830

IUPAC2-(3-bromo-7-hydroxy-1,4,5,6-tetrahydroindazol-7-yl)acetic acid
SMILESO=C(O)CC1(O)CCCc2c(Br)n[nH]c21
InChIInChI=1S/C9H11BrN2O3/c10-8-5-2-1-3-9(15,4-6(13)14)7(5)11-12-8/h15H,1-4H2,(H,11,12)(H,13,14)
InChIKeyNBQQSKWWZMPAJQ-UHFFFAOYSA-N
MW275.10 g/mol
LogP1.17
Rot. Bonds2

About 2-(3-bromo-7-hydroxy-1,4,5,6-tetrahydroindazol-7-yl)acetic acid

2-(3-bromo-7-hydroxy-1,4,5,6-tetrahydroindazol-7-yl)acetic acid (PubChem CID 83913830) has the molecular formula C9H11BrN2O3 and a molecular weight of 275.10 g/mol. Its IUPAC name is 2-(3-bromo-7-hydroxy-1,4,5,6-tetrahydroindazol-7-yl)acetic acid.

Molecular Properties

Compound Name2-(3-bromo-7-hydroxy-1,4,5,6-tetrahydroindazol-7-yl)acetic acid
PubChem CID83913830
Molecular FormulaC9H11BrN2O3
Molecular Weight275.10 g/mol
Exact Mass274.00
IUPAC Name2-(3-bromo-7-hydroxy-1,4,5,6-tetrahydroindazol-7-yl)acetic acid
SMILESO=C(O)CC1(O)CCCc2c(Br)n[nH]c21
InChIInChI=1S/C9H11BrN2O3/c10-8-5-2-1-3-9(15,4-6(13)14)7(5)11-12-8/h15H,1-4H2,(H,11,12)(H,13,14)
InChIKeyNBQQSKWWZMPAJQ-UHFFFAOYSA-N
XLogP1.17
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-cyclohexyl-1H-pyrazole-3-carboxylic acid
CID 82372825
2-(7-Hydroxy-1,4,5,6-tetrahydroindazol-7-yl)acetic acid
CID 83907954
7-(Aminomethyl)-3-bromo-1,4,5,6-tetrahydroindazol-7-ol
CID 83912911
2-(3-bromo-4,5,6,7-tetrahydro-1H-indazol-7-yl)acetic acid
CID 83913279
7-(2-Aminoethyl)-3-bromo-1,4,5,6-tetrahydroindazol-7-ol
CID 83913326
3-Bromo-7-hydroxy-1,4,5,6-tetrahydroindazole-7-carboxylic acid
CID 83913358
(3S)-3-hydroxy-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid
CID 165679667
(3R)-3-hydroxy-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid
CID 165834340
3-hydroxy-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid
CID 165843196

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-7-hydroxy-1,4,5,6-tetrahydroindazol-7-yl)acetic acid?
The IUPAC name of 2-(3-bromo-7-hydroxy-1,4,5,6-tetrahydroindazol-7-yl)acetic acid (CID 83913830) is 2-(3-bromo-7-hydroxy-1,4,5,6-tetrahydroindazol-7-yl)acetic acid.
What is the SMILES notation for 2-(3-bromo-7-hydroxy-1,4,5,6-tetrahydroindazol-7-yl)acetic acid?
The canonical SMILES for 2-(3-bromo-7-hydroxy-1,4,5,6-tetrahydroindazol-7-yl)acetic acid is O=C(O)CC1(O)CCCc2c(Br)n[nH]c21.
What is the InChIKey of 2-(3-bromo-7-hydroxy-1,4,5,6-tetrahydroindazol-7-yl)acetic acid?
The InChIKey is NBQQSKWWZMPAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O3/c10-8-5-2-1-3-9(15,4-6(13)14)7(5)11-12-8/h15H,1-4H2,(H,11,12)(H,13,14).
What are the key properties of 2-(3-bromo-7-hydroxy-1,4,5,6-tetrahydroindazol-7-yl)acetic acid?
2-(3-bromo-7-hydroxy-1,4,5,6-tetrahydroindazol-7-yl)acetic acid has a molecular weight of 275.10 g/mol, XLogP of 1.17, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-7-hydroxy-1,4,5,6-tetrahydroindazol-7-yl)acetic acid is sourced from PubChem (CID 83913830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).