4,6-dichloro-3-iodo-1H-pyrrolo[3,2-c]pyridine

C7H3Cl2IN2 — CID 118991371

IUPAC4,6-dichloro-3-iodo-1H-pyrrolo[3,2-c]pyridine
SMILESClc1cc2[nH]cc(I)c2c(Cl)n1
InChIInChI=1S/C7H3Cl2IN2/c8-5-1-4-6(7(9)12-5)3(10)2-11-4/h1-2,11H
InChIKeyMVGQGLDRYWKZTN-UHFFFAOYSA-N
MW312.93 g/mol
LogP3.47
Rot. Bonds

About 4,6-dichloro-3-iodo-1H-pyrrolo[3,2-c]pyridine

4,6-dichloro-3-iodo-1H-pyrrolo[3,2-c]pyridine (PubChem CID 118991371) has the molecular formula C7H3Cl2IN2 and a molecular weight of 312.93 g/mol. Its IUPAC name is 4,6-dichloro-3-iodo-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name4,6-dichloro-3-iodo-1H-pyrrolo[3,2-c]pyridine
PubChem CID118991371
Molecular FormulaC7H3Cl2IN2
Molecular Weight312.93 g/mol
Exact Mass311.87
IUPAC Name4,6-dichloro-3-iodo-1H-pyrrolo[3,2-c]pyridine
SMILESClc1cc2[nH]cc(I)c2c(Cl)n1
InChIInChI=1S/C7H3Cl2IN2/c8-5-1-4-6(7(9)12-5)3(10)2-11-4/h1-2,11H
InChIKeyMVGQGLDRYWKZTN-UHFFFAOYSA-N
XLogP3.47
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.93
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-Azaindole
CID 9220
2-(1H-pyrrolo[3,2-c]pyridin-3-yl)ethanamine
CID 22662986
3-Chloro-1H-indole
CID 177790
4-chloro-1H-pyrrolo[3,2-c]pyridine
CID 14114384
4,6-Dichloro-1H-pyrrolo[3,2-c]pyridine
CID 5358988
2-{2-ethyl-1H-pyrrolo[3,2-c]pyridin-3-yl}ethan-1-amine, 23
CID 71463520
1H-Pyrrolo(3,2-c)pyridine, 2,3-dihydro-6-chloro-
CID 211823
6-Chloro-3-((4-methyl-1-piperazinyl)methyl)-1H-pyrrolo(3,2-c)pyridine
CID 5746390
7-Chloro-1H-pyrrolo[2,3-c]pyridine
CID 11435048
3-iodo-1H-pyrrolo(3,2-c)pyridine
CID 11687385
5-Chloro-1H-pyrrolo(3,2-b)pyridine
CID 12384237
6-Chloro-1H-pyrrolo(3,2-c)pyridine
CID 12575516

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-3-iodo-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 4,6-dichloro-3-iodo-1H-pyrrolo[3,2-c]pyridine (CID 118991371) is 4,6-dichloro-3-iodo-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 4,6-dichloro-3-iodo-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 4,6-dichloro-3-iodo-1H-pyrrolo[3,2-c]pyridine is Clc1cc2[nH]cc(I)c2c(Cl)n1.
What is the InChIKey of 4,6-dichloro-3-iodo-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is MVGQGLDRYWKZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2IN2/c8-5-1-4-6(7(9)12-5)3(10)2-11-4/h1-2,11H.
What are the key properties of 4,6-dichloro-3-iodo-1H-pyrrolo[3,2-c]pyridine?
4,6-dichloro-3-iodo-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 312.93 g/mol, XLogP of 3.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-3-iodo-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 118991371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).