6-chlorothieno[2,3-b]pyridine-5-carbonitrile

C8H3ClN2S — CID 82400712

IUPAC6-chlorothieno[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1cc2ccsc2nc1Cl
InChIInChI=1S/C8H3ClN2S/c9-7-6(4-10)3-5-1-2-12-8(5)11-7/h1-3H
InChIKeyZTZZMKDOWNJFNF-UHFFFAOYSA-N
MW194.65 g/mol
LogP2.82
Rot. Bonds

About 6-chlorothieno[2,3-b]pyridine-5-carbonitrile

6-chlorothieno[2,3-b]pyridine-5-carbonitrile (PubChem CID 82400712) has the molecular formula C8H3ClN2S and a molecular weight of 194.65 g/mol. Its IUPAC name is 6-chlorothieno[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-chlorothieno[2,3-b]pyridine-5-carbonitrile
PubChem CID82400712
Molecular FormulaC8H3ClN2S
Molecular Weight194.65 g/mol
Exact Mass193.97
IUPAC Name6-chlorothieno[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1cc2ccsc2nc1Cl
InChIInChI=1S/C8H3ClN2S/c9-7-6(4-10)3-5-1-2-12-8(5)11-7/h1-3H
InChIKeyZTZZMKDOWNJFNF-UHFFFAOYSA-N
XLogP2.82
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.65
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-aminothieno[2,3-b]pyridine-5-carbonitrile
CID 23130750
1-benzothiophene-5,6-dicarbonitrile
CID 14716418
4-chloro-2-thiophen-2-ylpyrimidine-5-carbonitrile
CID 83707861
2-chloro-5,6-dimethylpyridine-3-carbonitrile
CID 12891106
6-chloro-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carbonitrile
CID 82394973
2-chlorothiophene-3-carbonitrile
CID 14710956
6,7-difluoro-1-benzothiophene-5-carbonitrile
CID 131219396
2-chloro-6-oxo-7,8-dihydro-5H-quinoline-3-carbonitrile
CID 84674722
6-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile
CID 82410886
2-chloro-5-(trichloromethyl)pyridine-3-carbonitrile
CID 5077889
(5-cyano-1-benzothiophen-6-yl)boronic acid
CID 71143920
2,5-dichloro-6-ethylpyridine-3-carbonitrile
CID 14211647

Frequently Asked Questions

What is the IUPAC name of 6-chlorothieno[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of 6-chlorothieno[2,3-b]pyridine-5-carbonitrile (CID 82400712) is 6-chlorothieno[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for 6-chlorothieno[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for 6-chlorothieno[2,3-b]pyridine-5-carbonitrile is N#Cc1cc2ccsc2nc1Cl.
What is the InChIKey of 6-chlorothieno[2,3-b]pyridine-5-carbonitrile?
The InChIKey is ZTZZMKDOWNJFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClN2S/c9-7-6(4-10)3-5-1-2-12-8(5)11-7/h1-3H.
What are the key properties of 6-chlorothieno[2,3-b]pyridine-5-carbonitrile?
6-chlorothieno[2,3-b]pyridine-5-carbonitrile has a molecular weight of 194.65 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chlorothieno[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 82400712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).