5-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,6-dimethylpyridine-3-carbonitrile

C15H14ClN3S — CID 155800186

IUPAC5-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1nc(N2CCc3sccc3C2)c(C#N)c(C)c1Cl
InChIInChI=1S/C15H14ClN3S/c1-9-12(7-17)15(18-10(2)14(9)16)19-5-3-13-11(8-19)4-6-20-13/h4,6H,3,5,8H2,1-2H3
InChIKeyDQTAMGAQRMLXFW-UHFFFAOYSA-N
MW303.82 g/mol
LogP3.85
Rot. Bonds1

About 5-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,6-dimethylpyridine-3-carbonitrile

5-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 155800186) has the molecular formula C15H14ClN3S and a molecular weight of 303.82 g/mol. Its IUPAC name is 5-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,6-dimethylpyridine-3-carbonitrile
PubChem CID155800186
Molecular FormulaC15H14ClN3S
Molecular Weight303.82 g/mol
Exact Mass303.06
IUPAC Name5-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1nc(N2CCc3sccc3C2)c(C#N)c(C)c1Cl
InChIInChI=1S/C15H14ClN3S/c1-9-12(7-17)15(18-10(2)14(9)16)19-5-3-13-11(8-19)4-6-20-13/h4,6H,3,5,8H2,1-2H3
InChIKeyDQTAMGAQRMLXFW-UHFFFAOYSA-N
XLogP3.85
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 5-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,6-dimethylpyridine-3-carbonitrile (CID 155800186) is 5-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,6-dimethylpyridine-3-carbonitrile is Cc1nc(N2CCc3sccc3C2)c(C#N)c(C)c1Cl.
What is the InChIKey of 5-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is DQTAMGAQRMLXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3S/c1-9-12(7-17)15(18-10(2)14(9)16)19-5-3-13-11(8-19)4-6-20-13/h4,6H,3,5,8H2,1-2H3.
What are the key properties of 5-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,6-dimethylpyridine-3-carbonitrile?
5-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 303.82 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 155800186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).