methyl 2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carboxylate

C10H10N2O2 — CID 53412446

IUPACmethyl 2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cnc2cc(C)[nH]c2c1
InChIInChI=1S/C10H10N2O2/c1-6-3-8-9(12-6)4-7(5-11-8)10(13)14-2/h3-5,12H,1-2H3
InChIKeyHXDHPSSFUOAVFK-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.66
Rot. Bonds1

About methyl 2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carboxylate

methyl 2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carboxylate (PubChem CID 53412446) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is methyl 2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carboxylate
PubChem CID53412446
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Namemethyl 2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cnc2cc(C)[nH]c2c1
InChIInChI=1S/C10H10N2O2/c1-6-3-8-9(12-6)4-7(5-11-8)10(13)14-2/h3-5,12H,1-2H3
InChIKeyHXDHPSSFUOAVFK-UHFFFAOYSA-N
XLogP1.66
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carboxylate 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 methyl 2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carboxylate?
The IUPAC name of methyl 2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carboxylate (CID 53412446) is methyl 2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carboxylate is COC(=O)c1cnc2cc(C)[nH]c2c1.
What is the InChIKey of methyl 2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carboxylate?
The InChIKey is HXDHPSSFUOAVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-6-3-8-9(12-6)4-7(5-11-8)10(13)14-2/h3-5,12H,1-2H3.
What are the key properties of methyl 2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carboxylate?
methyl 2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carboxylate has a molecular weight of 190.20 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-1H-pyrrolo[3,2-b]pyridine-6-carboxylate is sourced from PubChem (CID 53412446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).