2-[4-(6-bromoindazol-2-yl)cyclohexyl]acetic acid

C15H17BrN2O2 — CID 155437894

IUPAC2-[4-(6-bromoindazol-2-yl)cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(n2cc3ccc(Br)cc3n2)CC1
InChIInChI=1S/C15H17BrN2O2/c16-12-4-3-11-9-18(17-14(11)8-12)13-5-1-10(2-6-13)7-15(19)20/h3-4,8-10,13H,1-2,5-7H2,(H,19,20)
InChIKeyRJBGUNRXVIKYPL-UHFFFAOYSA-N
MW337.22 g/mol
LogP4.00
Rot. Bonds3

About 2-[4-(6-bromoindazol-2-yl)cyclohexyl]acetic acid

2-[4-(6-bromoindazol-2-yl)cyclohexyl]acetic acid (PubChem CID 155437894) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 2-[4-(6-bromoindazol-2-yl)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-(6-bromoindazol-2-yl)cyclohexyl]acetic acid
PubChem CID155437894
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name2-[4-(6-bromoindazol-2-yl)cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(n2cc3ccc(Br)cc3n2)CC1
InChIInChI=1S/C15H17BrN2O2/c16-12-4-3-11-9-18(17-14(11)8-12)13-5-1-10(2-6-13)7-15(19)20/h3-4,8-10,13H,1-2,5-7H2,(H,19,20)
InChIKeyRJBGUNRXVIKYPL-UHFFFAOYSA-N
XLogP4.00
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(6-bromoindazol-2-yl)cyclohexyl]acetic 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

4-(6-bromoindazol-2-yl)piperidine-1-carboxylic acid
CID 170350484
[4-(5-bromo-6-fluoroindazol-2-yl)cyclohexyl]methanol
CID 155437708
2-cyclobutylindazol-6-amine
CID 90309050
2-[5-bromo-2-[4-(hydroxymethyl)cyclohexyl]indazol-6-yl]oxypropanoic acid
CID 155437454
methyl 2-cyclopentylindazole-6-carboxylate
CID 54059647
(4-pyrazolo[3,4-c]pyridin-2-ylcyclohexyl)methanol
CID 175931249
[4-[6-(1-ethylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methanamine
CID 171767737
2-[1-(2,5-dibromobenzoyl)piperidin-4-yl]acetic acid
CID 114368157
[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]methyl N-methylcarbamate
CID 170227743
methyl 4-[6-(difluoromethyl)indazol-2-yl]cyclohexane-1-carboxylate
CID 155437767
[4-[5-bromo-6-(trifluoromethoxy)indazol-2-yl]cyclohexyl]methanol
CID 155438039
4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)butanoic acid
CID 60784268

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-bromoindazol-2-yl)cyclohexyl]acetic acid?
The IUPAC name of 2-[4-(6-bromoindazol-2-yl)cyclohexyl]acetic acid (CID 155437894) is 2-[4-(6-bromoindazol-2-yl)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-(6-bromoindazol-2-yl)cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-(6-bromoindazol-2-yl)cyclohexyl]acetic acid is O=C(O)CC1CCC(n2cc3ccc(Br)cc3n2)CC1.
What is the InChIKey of 2-[4-(6-bromoindazol-2-yl)cyclohexyl]acetic acid?
The InChIKey is RJBGUNRXVIKYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c16-12-4-3-11-9-18(17-14(11)8-12)13-5-1-10(2-6-13)7-15(19)20/h3-4,8-10,13H,1-2,5-7H2,(H,19,20).
What are the key properties of 2-[4-(6-bromoindazol-2-yl)cyclohexyl]acetic acid?
2-[4-(6-bromoindazol-2-yl)cyclohexyl]acetic acid has a molecular weight of 337.22 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-bromoindazol-2-yl)cyclohexyl]acetic acid is sourced from PubChem (CID 155437894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).