2-iodo-1H-pyrrolo[3,2-b]pyridine-7-carbonitrile

C8H4IN3 — CID 123135618

IUPAC2-iodo-1H-pyrrolo[3,2-b]pyridine-7-carbonitrile
SMILESN#Cc1ccnc2cc(I)[nH]c12
InChIInChI=1S/C8H4IN3/c9-7-3-6-8(12-7)5(4-10)1-2-11-6/h1-3,12H
InChIKeyOVGJAPZHLPAADV-UHFFFAOYSA-N
MW269.05 g/mol
LogP2.04
Rot. Bonds

About 2-iodo-1H-pyrrolo[3,2-b]pyridine-7-carbonitrile

2-iodo-1H-pyrrolo[3,2-b]pyridine-7-carbonitrile (PubChem CID 123135618) has the molecular formula C8H4IN3 and a molecular weight of 269.05 g/mol. Its IUPAC name is 2-iodo-1H-pyrrolo[3,2-b]pyridine-7-carbonitrile.

Molecular Properties

Compound Name2-iodo-1H-pyrrolo[3,2-b]pyridine-7-carbonitrile
PubChem CID123135618
Molecular FormulaC8H4IN3
Molecular Weight269.05 g/mol
Exact Mass268.94
IUPAC Name2-iodo-1H-pyrrolo[3,2-b]pyridine-7-carbonitrile
SMILESN#Cc1ccnc2cc(I)[nH]c12
InChIInChI=1S/C8H4IN3/c9-7-3-6-8(12-7)5(4-10)1-2-11-6/h1-3,12H
InChIKeyOVGJAPZHLPAADV-UHFFFAOYSA-N
XLogP2.04
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.05
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-1H-pyrrolo[3,2-b]pyridine-7-carbonitrile?
The IUPAC name of 2-iodo-1H-pyrrolo[3,2-b]pyridine-7-carbonitrile (CID 123135618) is 2-iodo-1H-pyrrolo[3,2-b]pyridine-7-carbonitrile.
What is the SMILES notation for 2-iodo-1H-pyrrolo[3,2-b]pyridine-7-carbonitrile?
The canonical SMILES for 2-iodo-1H-pyrrolo[3,2-b]pyridine-7-carbonitrile is N#Cc1ccnc2cc(I)[nH]c12.
What is the InChIKey of 2-iodo-1H-pyrrolo[3,2-b]pyridine-7-carbonitrile?
The InChIKey is OVGJAPZHLPAADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4IN3/c9-7-3-6-8(12-7)5(4-10)1-2-11-6/h1-3,12H.
What are the key properties of 2-iodo-1H-pyrrolo[3,2-b]pyridine-7-carbonitrile?
2-iodo-1H-pyrrolo[3,2-b]pyridine-7-carbonitrile has a molecular weight of 269.05 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1H-pyrrolo[3,2-b]pyridine-7-carbonitrile is sourced from PubChem (CID 123135618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).