methyl 2-iodo-1H-pyrrolo[2,3-c]pyridine-7-carboxylate

C9H7IN2O2 — CID 174253439

IUPACmethyl 2-iodo-1H-pyrrolo[2,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1nccc2cc(I)[nH]c12
InChIInChI=1S/C9H7IN2O2/c1-14-9(13)8-7-5(2-3-11-8)4-6(10)12-7/h2-4,12H,1H3
InChIKeyGOIKJKBQBJEUAN-UHFFFAOYSA-N
MW302.07 g/mol
LogP1.95
Rot. Bonds1

About methyl 2-iodo-1H-pyrrolo[2,3-c]pyridine-7-carboxylate

methyl 2-iodo-1H-pyrrolo[2,3-c]pyridine-7-carboxylate (PubChem CID 174253439) has the molecular formula C9H7IN2O2 and a molecular weight of 302.07 g/mol. Its IUPAC name is methyl 2-iodo-1H-pyrrolo[2,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-iodo-1H-pyrrolo[2,3-c]pyridine-7-carboxylate
PubChem CID174253439
Molecular FormulaC9H7IN2O2
Molecular Weight302.07 g/mol
Exact Mass301.96
IUPAC Namemethyl 2-iodo-1H-pyrrolo[2,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1nccc2cc(I)[nH]c12
InChIInChI=1S/C9H7IN2O2/c1-14-9(13)8-7-5(2-3-11-8)4-6(10)12-7/h2-4,12H,1H3
InChIKeyGOIKJKBQBJEUAN-UHFFFAOYSA-N
XLogP1.95
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.07
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze methyl 2-iodo-1H-pyrrolo[2,3-c]pyridine-7-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 7-methylisoquinoline-1-carboxylate
CID 82572057
2-methyl-1H-pyrrolo[2,3-c]pyridine-7-carboxylic acid
CID 82410975
methyl 7-fluoroisoquinoline-1-carboxylate
CID 82572059
methyl 6-chloroisoquinoline-1-carboxylate
CID 82572070
methyl 3-bromo-1H-pyrrolo[2,3-c]pyridine-7-carboxylate
CID 71472793
methyl 4-(difluoromethyl)-3-iodopyridine-2-carboxylate
CID 130096872
methyl 3-fluoro-4-methylpyridine-2-carboxylate
CID 130618402
3-iodopyrazine-2-carboxylic acid;methyl 3-iodopyrazine-2-carboxylate
CID 163762447
tetramethyl pyridine-2,3,5,6-tetracarboxylate
CID 767414
methyl 3-fluoro-4-(4-iodophenyl)pyridine-2-carboxylate
CID 152564079
methyl 4,6-dichloro-3-iodopyridine-2-carboxylate
CID 86668299
methyl 3-amino-4-methoxypyridine-2-carboxylate
CID 146485180

Frequently Asked Questions

What is the IUPAC name of methyl 2-iodo-1H-pyrrolo[2,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 2-iodo-1H-pyrrolo[2,3-c]pyridine-7-carboxylate (CID 174253439) is methyl 2-iodo-1H-pyrrolo[2,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 2-iodo-1H-pyrrolo[2,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 2-iodo-1H-pyrrolo[2,3-c]pyridine-7-carboxylate is COC(=O)c1nccc2cc(I)[nH]c12.
What is the InChIKey of methyl 2-iodo-1H-pyrrolo[2,3-c]pyridine-7-carboxylate?
The InChIKey is GOIKJKBQBJEUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IN2O2/c1-14-9(13)8-7-5(2-3-11-8)4-6(10)12-7/h2-4,12H,1H3.
What are the key properties of methyl 2-iodo-1H-pyrrolo[2,3-c]pyridine-7-carboxylate?
methyl 2-iodo-1H-pyrrolo[2,3-c]pyridine-7-carboxylate has a molecular weight of 302.07 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-iodo-1H-pyrrolo[2,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 174253439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).