6-(4-hydroxybutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

C12H14N2O2S — CID 141131379

IUPAC6-(4-hydroxybutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1csc2c1CCN(C(=O)CCCO)C2
InChIInChI=1S/C12H14N2O2S/c13-6-9-8-17-11-7-14(4-3-10(9)11)12(16)2-1-5-15/h8,15H,1-5,7H2
InChIKeyVVMHRWYEZCCVEP-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.28
Rot. Bonds3

About 6-(4-hydroxybutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

6-(4-hydroxybutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (PubChem CID 141131379) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 6-(4-hydroxybutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-hydroxybutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
PubChem CID141131379
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name6-(4-hydroxybutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1csc2c1CCN(C(=O)CCCO)C2
InChIInChI=1S/C12H14N2O2S/c13-6-9-8-17-11-7-14(4-3-10(9)11)12(16)2-1-5-15/h8,15H,1-5,7H2
InChIKeyVVMHRWYEZCCVEP-UHFFFAOYSA-N
XLogP1.28
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-aminobutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 141131357
ethyl 3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 141131373
6-(2-hydroxyacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 141131385
3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid
CID 160589274
3-cyano-6-(3-hydroxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxamide
CID 173084769
4-hydroxy-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-one
CID 79192931
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-hydroxybutan-1-one
CID 79203784
2-[4-(Hydroxymethyl)piperidine-1-carbonyl]thiophene-3-carbonitrile
CID 112365241

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxybutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The IUPAC name of 6-(4-hydroxybutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (CID 141131379) is 6-(4-hydroxybutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-hydroxybutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-hydroxybutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is N#Cc1csc2c1CCN(C(=O)CCCO)C2.
What is the InChIKey of 6-(4-hydroxybutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The InChIKey is VVMHRWYEZCCVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c13-6-9-8-17-11-7-14(4-3-10(9)11)12(16)2-1-5-15/h8,15H,1-5,7H2.
What are the key properties of 6-(4-hydroxybutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
6-(4-hydroxybutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile has a molecular weight of 250.32 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxybutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 141131379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).