4-(6-bromoindazol-2-yl)piperidine-1-carboxylic acid

C13H14BrN3O2 — CID 170350484

IUPAC4-(6-bromoindazol-2-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(n2cc3ccc(Br)cc3n2)CC1
InChIInChI=1S/C13H14BrN3O2/c14-10-2-1-9-8-17(15-12(9)7-10)11-3-5-16(6-4-11)13(18)19/h1-2,7-8,11H,3-6H2,(H,18,19)
InChIKeyVCWPDBXIAXUGMV-UHFFFAOYSA-N
MW324.18 g/mol
LogP3.11
Rot. Bonds1

About 4-(6-bromoindazol-2-yl)piperidine-1-carboxylic acid

4-(6-bromoindazol-2-yl)piperidine-1-carboxylic acid (PubChem CID 170350484) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 4-(6-bromoindazol-2-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(6-bromoindazol-2-yl)piperidine-1-carboxylic acid
PubChem CID170350484
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name4-(6-bromoindazol-2-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(n2cc3ccc(Br)cc3n2)CC1
InChIInChI=1S/C13H14BrN3O2/c14-10-2-1-9-8-17(15-12(9)7-10)11-3-5-16(6-4-11)13(18)19/h1-2,7-8,11H,3-6H2,(H,18,19)
InChIKeyVCWPDBXIAXUGMV-UHFFFAOYSA-N
XLogP3.11
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(6-bromoindazol-2-yl)piperidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(6-bromoindazol-2-yl)cyclohexyl]acetic acid
CID 155437894
4-[6-(2,4-dioxo-1,3-diazinan-1-yl)indazol-2-yl]piperidine-1-carboxylic acid
CID 170350438
4-(4-bromopyrazol-1-yl)piperidine-1-carboxylic acid
CID 67027237
4-(4-bromo-3-pyridin-4-ylpyrazol-1-yl)piperidine-1-carboxylic acid
CID 90780421
3-(5-bromo-6-methoxyindazol-2-yl)azetidine-1-carboxylic acid
CID 170573068
4-(3-fluoro-4-iodopyrazol-1-yl)piperidine-1-carboxylic acid
CID 146487791
4-[4-[6-amino-5-(7-bromoisoquinolin-3-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylic acid
CID 154356739
4-[3,5-bis(4-bromo-2-fluorophenyl)-1,2,4-triazol-4-yl]piperidine-1-carboxylic acid
CID 174166725
4-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carboxylic acid
CID 174157489
4-[(3S)-3-(4-bromo-2-fluorophenoxy)-2-oxopyrrolidin-1-yl]piperidine-1-carboxylic acid
CID 141321067
methyl 2-cyclopentylindazole-6-carboxylate
CID 54059647
4-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-1-carboxylic acid
CID 68728547

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromoindazol-2-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(6-bromoindazol-2-yl)piperidine-1-carboxylic acid (CID 170350484) is 4-(6-bromoindazol-2-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(6-bromoindazol-2-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(6-bromoindazol-2-yl)piperidine-1-carboxylic acid is O=C(O)N1CCC(n2cc3ccc(Br)cc3n2)CC1.
What is the InChIKey of 4-(6-bromoindazol-2-yl)piperidine-1-carboxylic acid?
The InChIKey is VCWPDBXIAXUGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c14-10-2-1-9-8-17(15-12(9)7-10)11-3-5-16(6-4-11)13(18)19/h1-2,7-8,11H,3-6H2,(H,18,19).
What are the key properties of 4-(6-bromoindazol-2-yl)piperidine-1-carboxylic acid?
4-(6-bromoindazol-2-yl)piperidine-1-carboxylic acid has a molecular weight of 324.18 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromoindazol-2-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 170350484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).