5,6-diethyl-1-iodopyrrolo[2,3-b]pyridine

C11H13IN2 — CID 70903225

IUPAC5,6-diethyl-1-iodopyrrolo[2,3-b]pyridine
SMILESCCc1cc2ccn(I)c2nc1CC
InChIInChI=1S/C11H13IN2/c1-3-8-7-9-5-6-14(12)11(9)13-10(8)4-2/h5-7H,3-4H2,1-2H3
InChIKeyYHEGCZCFPZVOJF-UHFFFAOYSA-N
MW300.14 g/mol
LogP3.36
Rot. Bonds2

About 5,6-diethyl-1-iodopyrrolo[2,3-b]pyridine

5,6-diethyl-1-iodopyrrolo[2,3-b]pyridine (PubChem CID 70903225) has the molecular formula C11H13IN2 and a molecular weight of 300.14 g/mol. Its IUPAC name is 5,6-diethyl-1-iodopyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5,6-diethyl-1-iodopyrrolo[2,3-b]pyridine
PubChem CID70903225
Molecular FormulaC11H13IN2
Molecular Weight300.14 g/mol
Exact Mass300.01
IUPAC Name5,6-diethyl-1-iodopyrrolo[2,3-b]pyridine
SMILESCCc1cc2ccn(I)c2nc1CC
InChIInChI=1S/C11H13IN2/c1-3-8-7-9-5-6-14(12)11(9)13-10(8)4-2/h5-7H,3-4H2,1-2H3
InChIKeyYHEGCZCFPZVOJF-UHFFFAOYSA-N
XLogP3.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8,9-diethyl-3-methyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine
CID 70990116
5,6-diethyl-1H-imidazo[4,5-b]pyridine
CID 89128817
2-ethyl-8-methylimidazo[1,2-a]pyridin-3-amine
CID 63617781
3-bromo-8-ethyl-2-(2-methylpropyl)imidazo[1,2-a]pyridine
CID 165493143
2-ethyl-3,6-diiodopyridine
CID 165475351
3-bromo-6,8-dichloro-2-ethylimidazo[1,2-a]pyridine
CID 154666719
2-ethenyl-5,6-diethylpyridin-3-amine
CID 156569398
8-chloro-3-ethyl-2-propylquinoline
CID 12935082
3-ethyl-1-(hydroxymethylamino)-1,8-naphthyridine-2-thione
CID 139622430
8-bromo-2-ethyl-3-methylimidazo[1,2-a]pyridine
CID 83692970
8-chloro-2-ethylimidazo[1,2-a]pyrazine-3-carbaldehyde
CID 22024515
2-ethyl-3-nitroimidazo[1,2-a]pyridine-8-carboxylic acid
CID 83841739

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-1-iodopyrrolo[2,3-b]pyridine?
The IUPAC name of 5,6-diethyl-1-iodopyrrolo[2,3-b]pyridine (CID 70903225) is 5,6-diethyl-1-iodopyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5,6-diethyl-1-iodopyrrolo[2,3-b]pyridine?
The canonical SMILES for 5,6-diethyl-1-iodopyrrolo[2,3-b]pyridine is CCc1cc2ccn(I)c2nc1CC.
What is the InChIKey of 5,6-diethyl-1-iodopyrrolo[2,3-b]pyridine?
The InChIKey is YHEGCZCFPZVOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN2/c1-3-8-7-9-5-6-14(12)11(9)13-10(8)4-2/h5-7H,3-4H2,1-2H3.
What are the key properties of 5,6-diethyl-1-iodopyrrolo[2,3-b]pyridine?
5,6-diethyl-1-iodopyrrolo[2,3-b]pyridine has a molecular weight of 300.14 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-1-iodopyrrolo[2,3-b]pyridine is sourced from PubChem (CID 70903225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).