methyl 7-chloro-1-methylpyrrolo[2,3-c]pyridine-3-carboxylate

C10H9ClN2O2 — CID 84689410

IUPACmethyl 7-chloro-1-methylpyrrolo[2,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1cn(C)c2c(Cl)nccc12
InChIInChI=1S/C10H9ClN2O2/c1-13-5-7(10(14)15-2)6-3-4-12-9(11)8(6)13/h3-5H,1-2H3
InChIKeyFJCUBANGIRLDQF-UHFFFAOYSA-N
MW224.65 g/mol
LogP2.01
Rot. Bonds1

About methyl 7-chloro-1-methylpyrrolo[2,3-c]pyridine-3-carboxylate

methyl 7-chloro-1-methylpyrrolo[2,3-c]pyridine-3-carboxylate (PubChem CID 84689410) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is methyl 7-chloro-1-methylpyrrolo[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-chloro-1-methylpyrrolo[2,3-c]pyridine-3-carboxylate
PubChem CID84689410
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Namemethyl 7-chloro-1-methylpyrrolo[2,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1cn(C)c2c(Cl)nccc12
InChIInChI=1S/C10H9ClN2O2/c1-13-5-7(10(14)15-2)6-3-4-12-9(11)8(6)13/h3-5H,1-2H3
InChIKeyFJCUBANGIRLDQF-UHFFFAOYSA-N
XLogP2.01
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 7-chloro-1-methylpyrrolo[2,3-c]pyridine-3-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 7-chloro-1-methylpyrrolo[2,3-c]pyridine-3-carboxylate?
The IUPAC name of methyl 7-chloro-1-methylpyrrolo[2,3-c]pyridine-3-carboxylate (CID 84689410) is methyl 7-chloro-1-methylpyrrolo[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 7-chloro-1-methylpyrrolo[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 7-chloro-1-methylpyrrolo[2,3-c]pyridine-3-carboxylate is COC(=O)c1cn(C)c2c(Cl)nccc12.
What is the InChIKey of methyl 7-chloro-1-methylpyrrolo[2,3-c]pyridine-3-carboxylate?
The InChIKey is FJCUBANGIRLDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-13-5-7(10(14)15-2)6-3-4-12-9(11)8(6)13/h3-5H,1-2H3.
What are the key properties of methyl 7-chloro-1-methylpyrrolo[2,3-c]pyridine-3-carboxylate?
methyl 7-chloro-1-methylpyrrolo[2,3-c]pyridine-3-carboxylate has a molecular weight of 224.65 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-chloro-1-methylpyrrolo[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 84689410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).