4-iodothieno[2,3-c]pyridine-2-carbonitrile

C8H3IN2S — CID 142031513

IUPAC4-iodothieno[2,3-c]pyridine-2-carbonitrile
SMILESN#Cc1cc2c(I)cncc2s1
InChIInChI=1S/C8H3IN2S/c9-7-3-11-4-8-6(7)1-5(2-10)12-8/h1,3-4H
InChIKeyQUMVMKZYKYJHJY-UHFFFAOYSA-N
MW286.10 g/mol
LogP2.77
Rot. Bonds

About 4-iodothieno[2,3-c]pyridine-2-carbonitrile

4-iodothieno[2,3-c]pyridine-2-carbonitrile (PubChem CID 142031513) has the molecular formula C8H3IN2S and a molecular weight of 286.10 g/mol. Its IUPAC name is 4-iodothieno[2,3-c]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-iodothieno[2,3-c]pyridine-2-carbonitrile
PubChem CID142031513
Molecular FormulaC8H3IN2S
Molecular Weight286.10 g/mol
Exact Mass285.91
IUPAC Name4-iodothieno[2,3-c]pyridine-2-carbonitrile
SMILESN#Cc1cc2c(I)cncc2s1
InChIInChI=1S/C8H3IN2S/c9-7-3-11-4-8-6(7)1-5(2-10)12-8/h1,3-4H
InChIKeyQUMVMKZYKYJHJY-UHFFFAOYSA-N
XLogP2.77
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.10
LogP ≤ 52.77
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

4-bromothieno[2,3-c]pyridine-2-carbonitrile
CID 53440033
4-amino-7-iodo-1-benzothiophene-2-carbonitrile
CID 131080405
4-bromo-1-benzothiophene-2-carbonitrile
CID 56773829
thieno[3,2-e][1]benzothiole-2-carbonitrile
CID 102479264
4,5-dihydroxy-1-benzothiophene-2-carbonitrile
CID 130785844
4-fluoro-6-methylsulfanyl-1-benzothiophene-2-carbonitrile
CID 130971782
4-[2-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-4-methylphenyl]thieno[2,3-c]pyridine-2-carbonitrile
CID 166491322
cyclohexa-1,5-dien-1-yl-(4-iodothieno[2,3-c]pyridin-2-yl)methanone
CID 142031504
4-bromothieno[2,3-b]pyridine-2-carbonitrile
CID 131417748
thieno[3,2-b]pyridine-2-carbonitrile
CID 13220438
5-methyl-4-methylsulfanyl-1-benzothiophene-2-carbonitrile
CID 131033966
4-(2-cyanothieno[2,3-c]pyridin-4-yl)-3-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-methylbenzamide
CID 166491437

Frequently Asked Questions

What is the IUPAC name of 4-iodothieno[2,3-c]pyridine-2-carbonitrile?
The IUPAC name of 4-iodothieno[2,3-c]pyridine-2-carbonitrile (CID 142031513) is 4-iodothieno[2,3-c]pyridine-2-carbonitrile.
What is the SMILES notation for 4-iodothieno[2,3-c]pyridine-2-carbonitrile?
The canonical SMILES for 4-iodothieno[2,3-c]pyridine-2-carbonitrile is N#Cc1cc2c(I)cncc2s1.
What is the InChIKey of 4-iodothieno[2,3-c]pyridine-2-carbonitrile?
The InChIKey is QUMVMKZYKYJHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3IN2S/c9-7-3-11-4-8-6(7)1-5(2-10)12-8/h1,3-4H.
What are the key properties of 4-iodothieno[2,3-c]pyridine-2-carbonitrile?
4-iodothieno[2,3-c]pyridine-2-carbonitrile has a molecular weight of 286.10 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodothieno[2,3-c]pyridine-2-carbonitrile is sourced from PubChem (CID 142031513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).