4-chloro-2-iodo-1-(methoxymethyl)pyrrolo[2,3-b]pyridine

C9H8ClIN2O — CID 67257550

IUPAC4-chloro-2-iodo-1-(methoxymethyl)pyrrolo[2,3-b]pyridine
SMILESCOCn1c(I)cc2c(Cl)ccnc21
InChIInChI=1S/C9H8ClIN2O/c1-14-5-13-8(11)4-6-7(10)2-3-12-9(6)13/h2-4H,5H2,1H3
InChIKeySNCUACRBMUHQER-UHFFFAOYSA-N
MW322.53 g/mol
LogP2.90
Rot. Bonds2

About 4-chloro-2-iodo-1-(methoxymethyl)pyrrolo[2,3-b]pyridine

4-chloro-2-iodo-1-(methoxymethyl)pyrrolo[2,3-b]pyridine (PubChem CID 67257550) has the molecular formula C9H8ClIN2O and a molecular weight of 322.53 g/mol. Its IUPAC name is 4-chloro-2-iodo-1-(methoxymethyl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-chloro-2-iodo-1-(methoxymethyl)pyrrolo[2,3-b]pyridine
PubChem CID67257550
Molecular FormulaC9H8ClIN2O
Molecular Weight322.53 g/mol
Exact Mass321.94
IUPAC Name4-chloro-2-iodo-1-(methoxymethyl)pyrrolo[2,3-b]pyridine
SMILESCOCn1c(I)cc2c(Cl)ccnc21
InChIInChI=1S/C9H8ClIN2O/c1-14-5-13-8(11)4-6-7(10)2-3-12-9(6)13/h2-4H,5H2,1H3
InChIKeySNCUACRBMUHQER-UHFFFAOYSA-N
XLogP2.90
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.53
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-2-iodo-1-(methoxymethyl)pyrrolo[2,3-b]pyridine 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 4-chloro-2-iodo-1-(methoxymethyl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-chloro-2-iodo-1-(methoxymethyl)pyrrolo[2,3-b]pyridine (CID 67257550) is 4-chloro-2-iodo-1-(methoxymethyl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-chloro-2-iodo-1-(methoxymethyl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-chloro-2-iodo-1-(methoxymethyl)pyrrolo[2,3-b]pyridine is COCn1c(I)cc2c(Cl)ccnc21.
What is the InChIKey of 4-chloro-2-iodo-1-(methoxymethyl)pyrrolo[2,3-b]pyridine?
The InChIKey is SNCUACRBMUHQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClIN2O/c1-14-5-13-8(11)4-6-7(10)2-3-12-9(6)13/h2-4H,5H2,1H3.
What are the key properties of 4-chloro-2-iodo-1-(methoxymethyl)pyrrolo[2,3-b]pyridine?
4-chloro-2-iodo-1-(methoxymethyl)pyrrolo[2,3-b]pyridine has a molecular weight of 322.53 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-iodo-1-(methoxymethyl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 67257550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).