5-chloro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid

C10H11ClN2O2 — CID 175505580

IUPAC5-chloro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid
SMILESCC1(C)CN(C(=O)O)c2ccc(Cl)nc21
InChIInChI=1S/C10H11ClN2O2/c1-10(2)5-13(9(14)15)6-3-4-7(11)12-8(6)10/h3-4H,5H2,1-2H3,(H,14,15)
InChIKeyLIZLHSGMHPBZFZ-UHFFFAOYSA-N
MW226.66 g/mol
LogP2.51
Rot. Bonds

About 5-chloro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid

5-chloro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid (PubChem CID 175505580) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 5-chloro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name5-chloro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid
PubChem CID175505580
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name5-chloro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid
SMILESCC1(C)CN(C(=O)O)c2ccc(Cl)nc21
InChIInChI=1S/C10H11ClN2O2/c1-10(2)5-13(9(14)15)6-3-4-7(11)12-8(6)10/h3-4H,5H2,1-2H3,(H,14,15)
InChIKeyLIZLHSGMHPBZFZ-UHFFFAOYSA-N
XLogP2.51
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-chloro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-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 5-chloro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid?
The IUPAC name of 5-chloro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid (CID 175505580) is 5-chloro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid.
What is the SMILES notation for 5-chloro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid?
The canonical SMILES for 5-chloro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid is CC1(C)CN(C(=O)O)c2ccc(Cl)nc21.
What is the InChIKey of 5-chloro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid?
The InChIKey is LIZLHSGMHPBZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-10(2)5-13(9(14)15)6-3-4-7(11)12-8(6)10/h3-4H,5H2,1-2H3,(H,14,15).
What are the key properties of 5-chloro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid?
5-chloro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid has a molecular weight of 226.66 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid is sourced from PubChem (CID 175505580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).