3-iodo-1H-pyrrolo[2,3-b]pyridine

C7H5IN2 — CID 5377078

IUPAC3-iodo-1H-pyrrolo[2,3-b]pyridine
SMILESIc1c[nH]c2ncccc12
InChIInChI=1S/C7H5IN2/c8-6-4-10-7-5(6)2-1-3-9-7/h1-4H,(H,9,10)
InChIKeyBTIANIFSBYIGPA-UHFFFAOYSA-N
MW244.04 g/mol
LogP2.17
Rot. Bonds

About 3-iodo-1H-pyrrolo[2,3-b]pyridine

3-iodo-1H-pyrrolo[2,3-b]pyridine (PubChem CID 5377078) has the molecular formula C7H5IN2 and a molecular weight of 244.04 g/mol. Its IUPAC name is 3-iodo-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-iodo-1H-pyrrolo[2,3-b]pyridine
PubChem CID5377078
Molecular FormulaC7H5IN2
Molecular Weight244.04 g/mol
Exact Mass243.95
IUPAC Name3-iodo-1H-pyrrolo[2,3-b]pyridine
SMILESIc1c[nH]c2ncccc12
InChIInChI=1S/C7H5IN2/c8-6-4-10-7-5(6)2-1-3-9-7/h1-4H,(H,9,10)
InChIKeyBTIANIFSBYIGPA-UHFFFAOYSA-N
XLogP2.17
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.04
LogP ≤ 52.17
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

1H-Pyrrolo(2,3-b)pyridine
CID 9222
Rolodine
CID 5359646
Imidazo(4,5-b)pyridine
CID 67504
3-[[4-(4-iodophenyl)-1-piperazinyl]methyl]-1H-Pyrrolo[2,3-b]pyridine
CID 6603897
6-Azanyl-4-(3-Methylphenyl)-1~{h}-Pyrrolo[2,3-B]pyridine-3-Carbonitrile
CID 86287744
5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 10537176
4-(1H-Pyrrolo[2,3-B]pyridin-3-YL)pyrimidin-2-amine
CID 11637090
5-bromo-1H-pyrrolo[2,3-b]pyridine
CID 10307932
7-Azaindole-3-carbonitrile
CID 10313195
9H-Pyrido(2,3-b)indole
CID 67486
3-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)aniline
CID 60155996
4-(3-fluoranylpyridin-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine
CID 70728319

Frequently Asked Questions

What is the IUPAC name of 3-iodo-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-iodo-1H-pyrrolo[2,3-b]pyridine (CID 5377078) is 3-iodo-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-iodo-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-iodo-1H-pyrrolo[2,3-b]pyridine is Ic1c[nH]c2ncccc12.
What is the InChIKey of 3-iodo-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is BTIANIFSBYIGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5IN2/c8-6-4-10-7-5(6)2-1-3-9-7/h1-4H,(H,9,10).
What are the key properties of 3-iodo-1H-pyrrolo[2,3-b]pyridine?
3-iodo-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 244.04 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 5377078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).