2-iodo-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile

C8H4IN3 — CID 123135397

IUPAC2-iodo-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
SMILESN#Cc1ccc2[nH]c(I)cc2n1
InChIInChI=1S/C8H4IN3/c9-8-3-7-6(12-8)2-1-5(4-10)11-7/h1-3,12H
InChIKeyRASNXQOWEOAZRP-UHFFFAOYSA-N
MW269.05 g/mol
LogP2.04
Rot. Bonds

About 2-iodo-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile

2-iodo-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile (PubChem CID 123135397) 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-5-carbonitrile.

Molecular Properties

Compound Name2-iodo-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
PubChem CID123135397
Molecular FormulaC8H4IN3
Molecular Weight269.05 g/mol
Exact Mass268.94
IUPAC Name2-iodo-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
SMILESN#Cc1ccc2[nH]c(I)cc2n1
InChIInChI=1S/C8H4IN3/c9-8-3-7-6(12-8)2-1-5(4-10)11-7/h1-3,12H
InChIKeyRASNXQOWEOAZRP-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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Related Compounds

2-iodo-1H-pyrrolo[3,2-c]pyridine-6-carbonitrile
CID 123135508
N-[(5-cyano-1H-pyrrolo[3,2-b]pyridin-2-yl)methyl]-N-methylformamide
CID 155737396
2-iodo-1H-pyrrolo[3,2-b]pyridine-7-carbonitrile
CID 123135618
CID 88936778
CID 88936778
5-aminoquinoline-2-carbonitrile
CID 133061307
5,6,7-trifluoroquinoline-2-carbonitrile
CID 102941305
7-(trifluoromethyl)quinoline-2-carbonitrile
CID 75355798
3-amino-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
CID 53412495
3-(3,5-dichlorophenyl)-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
CID 44573173
5-(difluoromethyl)-6-iodopyridine-2-carbonitrile
CID 130095798
8-chloro-6-iodoquinoline-2-carbonitrile
CID 107608577
3-(4-fluorophenyl)-2-phenyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
CID 44573241

Frequently Asked Questions

What is the IUPAC name of 2-iodo-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile?
The IUPAC name of 2-iodo-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile (CID 123135397) is 2-iodo-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile.
What is the SMILES notation for 2-iodo-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile?
The canonical SMILES for 2-iodo-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile is N#Cc1ccc2[nH]c(I)cc2n1.
What is the InChIKey of 2-iodo-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile?
The InChIKey is RASNXQOWEOAZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4IN3/c9-8-3-7-6(12-8)2-1-5(4-10)11-7/h1-3,12H.
What are the key properties of 2-iodo-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile?
2-iodo-1H-pyrrolo[3,2-b]pyridine-5-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-5-carbonitrile is sourced from PubChem (CID 123135397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).