5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyridine-2-carboxylic acid

C14H12N2O3S — CID 43414813

IUPAC5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CCc3sccc3C2)cn1
InChIInChI=1S/C14H12N2O3S/c17-13(9-1-2-11(14(18)19)15-7-9)16-5-3-12-10(8-16)4-6-20-12/h1-2,4,6-7H,3,5,8H2,(H,18,19)
InChIKeyJYZSWKRCYGLCMP-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.04
Rot. Bonds2

About 5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyridine-2-carboxylic acid

5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyridine-2-carboxylic acid (PubChem CID 43414813) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyridine-2-carboxylic acid
PubChem CID43414813
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CCc3sccc3C2)cn1
InChIInChI=1S/C14H12N2O3S/c17-13(9-1-2-11(14(18)19)15-7-9)16-5-3-12-10(8-16)4-6-20-12/h1-2,4,6-7H,3,5,8H2,(H,18,19)
InChIKeyJYZSWKRCYGLCMP-UHFFFAOYSA-N
XLogP2.04
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid
CID 43452700
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylic acid
CID 43414633
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(1H-pyrazol-4-yl)methanone
CID 43582358
6-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyridine-3-carbonitrile
CID 63718760
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(5-hydrazinylpyrazin-2-yl)methanone
CID 107377709
(6-chloropyridazin-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 54927051
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(2H-triazol-4-yl)methanone
CID 47338107
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(1H-indazol-6-yl)methanone
CID 60715121
(1-benzylpyrazol-4-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 42470460
2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 30454724
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(6-hydrazinylpyridazin-3-yl)methanone
CID 62249906
5-[5-(dimethylsulfamoyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridine-2-carboxylic acid
CID 120913784

Frequently Asked Questions

What is the IUPAC name of 5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyridine-2-carboxylic acid (CID 43414813) is 5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyridine-2-carboxylic acid is O=C(O)c1ccc(C(=O)N2CCc3sccc3C2)cn1.
What is the InChIKey of 5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyridine-2-carboxylic acid?
The InChIKey is JYZSWKRCYGLCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c17-13(9-1-2-11(14(18)19)15-7-9)16-5-3-12-10(8-16)4-6-20-12/h1-2,4,6-7H,3,5,8H2,(H,18,19).
What are the key properties of 5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyridine-2-carboxylic acid?
5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyridine-2-carboxylic acid has a molecular weight of 288.33 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 43414813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).