methyl 6-chloro-1-methylpyrrolo[2,3-b]pyridine-4-carboxylate

C10H9ClN2O2 — CID 169206521

IUPACmethyl 6-chloro-1-methylpyrrolo[2,3-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(Cl)nc2c1ccn2C
InChIInChI=1S/C10H9ClN2O2/c1-13-4-3-6-7(10(14)15-2)5-8(11)12-9(6)13/h3-5H,1-2H3
InChIKeyMKKHGYYQDMDYHI-UHFFFAOYSA-N
MW224.65 g/mol
LogP2.01
Rot. Bonds1

About methyl 6-chloro-1-methylpyrrolo[2,3-b]pyridine-4-carboxylate

methyl 6-chloro-1-methylpyrrolo[2,3-b]pyridine-4-carboxylate (PubChem CID 169206521) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is methyl 6-chloro-1-methylpyrrolo[2,3-b]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-1-methylpyrrolo[2,3-b]pyridine-4-carboxylate
PubChem CID169206521
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Namemethyl 6-chloro-1-methylpyrrolo[2,3-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(Cl)nc2c1ccn2C
InChIInChI=1S/C10H9ClN2O2/c1-13-4-3-6-7(10(14)15-2)5-8(11)12-9(6)13/h3-5H,1-2H3
InChIKeyMKKHGYYQDMDYHI-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 6-chloro-1-methylpyrrolo[2,3-b]pyridine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 6-chloro-1-(cyanomethyl)pyrrolo[2,3-b]pyridine-4-carboxylate
CID 169206454
methyl 1-but-2-ynyl-6-chloropyrrolo[2,3-b]pyridine-4-carboxylate
CID 169206871
methyl 6-chloro-1-(1,1-dioxothietan-3-yl)pyrrolo[2,3-b]pyridine-4-carboxylate
CID 169206614
methyl 2-chloroquinoline-4-carboxylate
CID 5202936
methyl 2-chloro-6-fluoroquinoline-4-carboxylate
CID 50742482
methyl 1,2-dimethylpyrrole-3-carboxylate
CID 91667853
(2-chloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl) carbamate
CID 143605611
methyl 3-methoxy-1-methyl-2-oxopyridine-4-carboxylate
CID 123342113
6-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 169264396
1-(2,6-dichloro-4-pyridinyl)-3-[[4-(dimethylamino)-7-methylpyrrolo[2,3-d]pyrimidin-2-yl]amino]urea
CID 164608914
tetramethyl pyridine-2,3,5,6-tetracarboxylate
CID 767414
methyl 3-chloropyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 102287162

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-1-methylpyrrolo[2,3-b]pyridine-4-carboxylate?
The IUPAC name of methyl 6-chloro-1-methylpyrrolo[2,3-b]pyridine-4-carboxylate (CID 169206521) is methyl 6-chloro-1-methylpyrrolo[2,3-b]pyridine-4-carboxylate.
What is the SMILES notation for methyl 6-chloro-1-methylpyrrolo[2,3-b]pyridine-4-carboxylate?
The canonical SMILES for methyl 6-chloro-1-methylpyrrolo[2,3-b]pyridine-4-carboxylate is COC(=O)c1cc(Cl)nc2c1ccn2C.
What is the InChIKey of methyl 6-chloro-1-methylpyrrolo[2,3-b]pyridine-4-carboxylate?
The InChIKey is MKKHGYYQDMDYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-13-4-3-6-7(10(14)15-2)5-8(11)12-9(6)13/h3-5H,1-2H3.
What are the key properties of methyl 6-chloro-1-methylpyrrolo[2,3-b]pyridine-4-carboxylate?
methyl 6-chloro-1-methylpyrrolo[2,3-b]pyridine-4-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 6-chloro-1-methylpyrrolo[2,3-b]pyridine-4-carboxylate is sourced from PubChem (CID 169206521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).