4-(4-bromopyrrolo[2,3-b]pyridin-1-yl)piperidine-1-carboxylic acid

C13H14BrN3O2 — CID 170164415

IUPAC4-(4-bromopyrrolo[2,3-b]pyridin-1-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(n2ccc3c(Br)ccnc32)CC1
InChIInChI=1S/C13H14BrN3O2/c14-11-1-5-15-12-10(11)4-8-17(12)9-2-6-16(7-3-9)13(18)19/h1,4-5,8-9H,2-3,6-7H2,(H,18,19)
InChIKeyZNXRCYMHJRJUGZ-UHFFFAOYSA-N
MW324.18 g/mol
LogP3.11
Rot. Bonds1

About 4-(4-bromopyrrolo[2,3-b]pyridin-1-yl)piperidine-1-carboxylic acid

4-(4-bromopyrrolo[2,3-b]pyridin-1-yl)piperidine-1-carboxylic acid (PubChem CID 170164415) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 4-(4-bromopyrrolo[2,3-b]pyridin-1-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-bromopyrrolo[2,3-b]pyridin-1-yl)piperidine-1-carboxylic acid
PubChem CID170164415
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name4-(4-bromopyrrolo[2,3-b]pyridin-1-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(n2ccc3c(Br)ccnc32)CC1
InChIInChI=1S/C13H14BrN3O2/c14-11-1-5-15-12-10(11)4-8-17(12)9-2-6-16(7-3-9)13(18)19/h1,4-5,8-9H,2-3,6-7H2,(H,18,19)
InChIKeyZNXRCYMHJRJUGZ-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-(4-bromopyrrolo[2,3-b]pyridin-1-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

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrrolo[2,3-b]pyridin-1-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(4-bromopyrrolo[2,3-b]pyridin-1-yl)piperidine-1-carboxylic acid (CID 170164415) is 4-(4-bromopyrrolo[2,3-b]pyridin-1-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-bromopyrrolo[2,3-b]pyridin-1-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-bromopyrrolo[2,3-b]pyridin-1-yl)piperidine-1-carboxylic acid is O=C(O)N1CCC(n2ccc3c(Br)ccnc32)CC1.
What is the InChIKey of 4-(4-bromopyrrolo[2,3-b]pyridin-1-yl)piperidine-1-carboxylic acid?
The InChIKey is ZNXRCYMHJRJUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c14-11-1-5-15-12-10(11)4-8-17(12)9-2-6-16(7-3-9)13(18)19/h1,4-5,8-9H,2-3,6-7H2,(H,18,19).
What are the key properties of 4-(4-bromopyrrolo[2,3-b]pyridin-1-yl)piperidine-1-carboxylic acid?
4-(4-bromopyrrolo[2,3-b]pyridin-1-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-(4-bromopyrrolo[2,3-b]pyridin-1-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 170164415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).