3-iodo-1-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine

C13H16IN3 — CID 67260713

IUPAC3-iodo-1-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine
SMILESIc1cn(CCN2CCCC2)c2cccnc12
InChIInChI=1S/C13H16IN3/c14-11-10-17(9-8-16-6-1-2-7-16)12-4-3-5-15-13(11)12/h3-5,10H,1-2,6-9H2
InChIKeyVFLUIZVFINKRCW-UHFFFAOYSA-N
MW341.20 g/mol
LogP2.74
Rot. Bonds3

About 3-iodo-1-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine

3-iodo-1-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine (PubChem CID 67260713) has the molecular formula C13H16IN3 and a molecular weight of 341.20 g/mol. Its IUPAC name is 3-iodo-1-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name3-iodo-1-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine
PubChem CID67260713
Molecular FormulaC13H16IN3
Molecular Weight341.20 g/mol
Exact Mass341.04
IUPAC Name3-iodo-1-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine
SMILESIc1cn(CCN2CCCC2)c2cccnc12
InChIInChI=1S/C13H16IN3/c14-11-10-17(9-8-16-6-1-2-7-16)12-4-3-5-15-13(11)12/h3-5,10H,1-2,6-9H2
InChIKeyVFLUIZVFINKRCW-UHFFFAOYSA-N
XLogP2.74
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(5-phenyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrrolo[3,2-b]pyridine
CID 70125549
3-[5-(3-methoxyphenyl)-3-pyridinyl]-1-(2-piperidin-1-ylethyl)pyrrolo[3,2-b]pyridine
CID 70126489
3-(5-phenyl-3-pyridinyl)-1-(3-piperidin-1-ylpropyl)pyrrolo[3,2-b]pyridine
CID 70128353
[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66416265
3-iodo-5-(1-methyl-1,2,4-triazol-3-yl)-1-(2-pyrrolidin-1-ylethyl)indole
CID 137376153
N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine
CID 60667125
[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methanamine
CID 66407065
1,1,1-trifluoro-4-[4-fluoro-3-[1-[1-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine-3-carbonyl]piperidin-4-yl]phenyl]butan-2-one
CID 159415370
5-iodo-1-(2-pyrrolidin-1-ylethyl)benzimidazole
CID 69079010
3-(4-fluorophenyl)-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine
CID 11014525
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]pyrimidine
CID 102273193
2-[1-(2-piperidin-1-ylethyl)indol-3-yl]acetic acid
CID 28783033

Frequently Asked Questions

What is the IUPAC name of 3-iodo-1-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine?
The IUPAC name of 3-iodo-1-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine (CID 67260713) is 3-iodo-1-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 3-iodo-1-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine?
The canonical SMILES for 3-iodo-1-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine is Ic1cn(CCN2CCCC2)c2cccnc12.
What is the InChIKey of 3-iodo-1-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine?
The InChIKey is VFLUIZVFINKRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16IN3/c14-11-10-17(9-8-16-6-1-2-7-16)12-4-3-5-15-13(11)12/h3-5,10H,1-2,6-9H2.
What are the key properties of 3-iodo-1-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine?
3-iodo-1-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine has a molecular weight of 341.20 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 67260713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).