2-iodo-1H-pyrrolo[3,2-c]pyridine-6-carbonitrile

C8H4IN3 — CID 123135508

IUPAC2-iodo-1H-pyrrolo[3,2-c]pyridine-6-carbonitrile
SMILESN#Cc1cc2[nH]c(I)cc2cn1
InChIInChI=1S/C8H4IN3/c9-8-1-5-4-11-6(3-10)2-7(5)12-8/h1-2,4,12H
InChIKeyAUIFXFQFTQSHFO-UHFFFAOYSA-N
MW269.05 g/mol
LogP2.04
Rot. Bonds

About 2-iodo-1H-pyrrolo[3,2-c]pyridine-6-carbonitrile

2-iodo-1H-pyrrolo[3,2-c]pyridine-6-carbonitrile (PubChem CID 123135508) has the molecular formula C8H4IN3 and a molecular weight of 269.05 g/mol. Its IUPAC name is 2-iodo-1H-pyrrolo[3,2-c]pyridine-6-carbonitrile.

Molecular Properties

Compound Name2-iodo-1H-pyrrolo[3,2-c]pyridine-6-carbonitrile
PubChem CID123135508
Molecular FormulaC8H4IN3
Molecular Weight269.05 g/mol
Exact Mass268.94
IUPAC Name2-iodo-1H-pyrrolo[3,2-c]pyridine-6-carbonitrile
SMILESN#Cc1cc2[nH]c(I)cc2cn1
InChIInChI=1S/C8H4IN3/c9-8-1-5-4-11-6(3-10)2-7(5)12-8/h1-2,4,12H
InChIKeyAUIFXFQFTQSHFO-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-b]pyridine-5-carbonitrile
CID 123135397
1H-pyrrolo[2,3-c]pyridine-3,5-dicarbonitrile
CID 68804667
3-amino-1H-pyrazolo[5,4-c]pyridine-5-carbonitrile
CID 121232183
4,5-dibromopyridine-2-carbonitrile
CID 118846548
2-iodo-1H-pyrrolo[3,2-b]pyridine-7-carbonitrile
CID 123135618
5-(difluoromethyl)-4-fluoropyridine-2-carbonitrile
CID 119007816
6-iodo-2-methylpyrimidine-4-carbonitrile
CID 130623670
5-chloro-4-(hydroxymethyl)pyridine-2-carbonitrile
CID 121362106
4-chloro-5-methylpyridine-2-carbonitrile
CID 75422082
4-chloro-5-hydroxypyridine-2-carbonitrile
CID 118816863
5-amino-4-bromopyridine-2-carbonitrile
CID 130641471
5-fluoro-4-methylpyridine-2-carbonitrile
CID 118235335

Frequently Asked Questions

What is the IUPAC name of 2-iodo-1H-pyrrolo[3,2-c]pyridine-6-carbonitrile?
The IUPAC name of 2-iodo-1H-pyrrolo[3,2-c]pyridine-6-carbonitrile (CID 123135508) is 2-iodo-1H-pyrrolo[3,2-c]pyridine-6-carbonitrile.
What is the SMILES notation for 2-iodo-1H-pyrrolo[3,2-c]pyridine-6-carbonitrile?
The canonical SMILES for 2-iodo-1H-pyrrolo[3,2-c]pyridine-6-carbonitrile is N#Cc1cc2[nH]c(I)cc2cn1.
What is the InChIKey of 2-iodo-1H-pyrrolo[3,2-c]pyridine-6-carbonitrile?
The InChIKey is AUIFXFQFTQSHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4IN3/c9-8-1-5-4-11-6(3-10)2-7(5)12-8/h1-2,4,12H.
What are the key properties of 2-iodo-1H-pyrrolo[3,2-c]pyridine-6-carbonitrile?
2-iodo-1H-pyrrolo[3,2-c]pyridine-6-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-c]pyridine-6-carbonitrile is sourced from PubChem (CID 123135508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).