6-bromo-1-cyclopentylindazole-4-carboxylic acid

C13H13BrN2O2 — CID 67468448

IUPAC6-bromo-1-cyclopentylindazole-4-carboxylic acid
SMILESO=C(O)c1cc(Br)cc2c1cnn2C1CCCC1
InChIInChI=1S/C13H13BrN2O2/c14-8-5-10(13(17)18)11-7-15-16(12(11)6-8)9-3-1-2-4-9/h5-7,9H,1-4H2,(H,17,18)
InChIKeyFDZIMDCXRFYYFD-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.61
Rot. Bonds2

About 6-bromo-1-cyclopentylindazole-4-carboxylic acid

6-bromo-1-cyclopentylindazole-4-carboxylic acid (PubChem CID 67468448) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 6-bromo-1-cyclopentylindazole-4-carboxylic acid.

Molecular Properties

Compound Name6-bromo-1-cyclopentylindazole-4-carboxylic acid
PubChem CID67468448
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name6-bromo-1-cyclopentylindazole-4-carboxylic acid
SMILESO=C(O)c1cc(Br)cc2c1cnn2C1CCCC1
InChIInChI=1S/C13H13BrN2O2/c14-8-5-10(13(17)18)11-7-15-16(12(11)6-8)9-3-1-2-4-9/h5-7,9H,1-4H2,(H,17,18)
InChIKeyFDZIMDCXRFYYFD-UHFFFAOYSA-N
XLogP3.61
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-cyclopentylindazole-4-carboxylic acid?
The IUPAC name of 6-bromo-1-cyclopentylindazole-4-carboxylic acid (CID 67468448) is 6-bromo-1-cyclopentylindazole-4-carboxylic acid.
What is the SMILES notation for 6-bromo-1-cyclopentylindazole-4-carboxylic acid?
The canonical SMILES for 6-bromo-1-cyclopentylindazole-4-carboxylic acid is O=C(O)c1cc(Br)cc2c1cnn2C1CCCC1.
What is the InChIKey of 6-bromo-1-cyclopentylindazole-4-carboxylic acid?
The InChIKey is FDZIMDCXRFYYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c14-8-5-10(13(17)18)11-7-15-16(12(11)6-8)9-3-1-2-4-9/h5-7,9H,1-4H2,(H,17,18).
What are the key properties of 6-bromo-1-cyclopentylindazole-4-carboxylic acid?
6-bromo-1-cyclopentylindazole-4-carboxylic acid has a molecular weight of 309.16 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-cyclopentylindazole-4-carboxylic acid is sourced from PubChem (CID 67468448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).