4,5-diiodo-1H-pyrrolo[2,3-b]pyridine

C7H4I2N2 — CID 129093662

IUPAC4,5-diiodo-1H-pyrrolo[2,3-b]pyridine
SMILESIc1cnc2[nH]ccc2c1I
InChIInChI=1S/C7H4I2N2/c8-5-3-11-7-4(6(5)9)1-2-10-7/h1-3H,(H,10,11)
InChIKeyJITUBSINZUUYQR-UHFFFAOYSA-N
MW369.93 g/mol
LogP2.77
Rot. Bonds

About 4,5-diiodo-1H-pyrrolo[2,3-b]pyridine

4,5-diiodo-1H-pyrrolo[2,3-b]pyridine (PubChem CID 129093662) has the molecular formula C7H4I2N2 and a molecular weight of 369.93 g/mol. Its IUPAC name is 4,5-diiodo-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4,5-diiodo-1H-pyrrolo[2,3-b]pyridine
PubChem CID129093662
Molecular FormulaC7H4I2N2
Molecular Weight369.93 g/mol
Exact Mass369.85
IUPAC Name4,5-diiodo-1H-pyrrolo[2,3-b]pyridine
SMILESIc1cnc2[nH]ccc2c1I
InChIInChI=1S/C7H4I2N2/c8-5-3-11-7-4(6(5)9)1-2-10-7/h1-3H,(H,10,11)
InChIKeyJITUBSINZUUYQR-UHFFFAOYSA-N
XLogP2.77
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.93
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-5-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine
CID 130119797
N,5-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 170200023
5-methyl-4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 122472434
5-ethynyl-4-fluoro-1H-pyrrolo[2,3-b]pyridine
CID 74891552
3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-5-one;hydrochloride
CID 175727378
7-bromo-3H-pyrrolo[2,3-c]isoquinoline
CID 90046653
N'-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethane-1,2-diamine
CID 84655641
(1R)-1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)ethanamine
CID 131183370
3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaen-4-amine
CID 67216423
4-fluoro-7H-pyrrolo[2,3-d]pyrimidine
CID 77134589
7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride
CID 22736352
7H-pyrrolo[2,3-d]pyrimidine-4-thiolate
CID 59609036

Frequently Asked Questions

What is the IUPAC name of 4,5-diiodo-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4,5-diiodo-1H-pyrrolo[2,3-b]pyridine (CID 129093662) is 4,5-diiodo-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4,5-diiodo-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4,5-diiodo-1H-pyrrolo[2,3-b]pyridine is Ic1cnc2[nH]ccc2c1I.
What is the InChIKey of 4,5-diiodo-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is JITUBSINZUUYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4I2N2/c8-5-3-11-7-4(6(5)9)1-2-10-7/h1-3H,(H,10,11).
What are the key properties of 4,5-diiodo-1H-pyrrolo[2,3-b]pyridine?
4,5-diiodo-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 369.93 g/mol, XLogP of 2.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diiodo-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 129093662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).