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

C14H12FNO2S — CID 175596644

IUPAC7-(4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid
SMILESO=C(O)N1CCc2ccsc2C1c1ccc(F)cc1
InChIInChI=1S/C14H12FNO2S/c15-11-3-1-9(2-4-11)12-13-10(6-8-19-13)5-7-16(12)14(17)18/h1-4,6,8,12H,5,7H2,(H,17,18)
InChIKeyOZZMWPMEDCUICR-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.51
Rot. Bonds1

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

7-(4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid (PubChem CID 175596644) has the molecular formula C14H12FNO2S and a molecular weight of 277.32 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name7-(4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid
PubChem CID175596644
Molecular FormulaC14H12FNO2S
Molecular Weight277.32 g/mol
Exact Mass277.06
IUPAC Name7-(4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid
SMILESO=C(O)N1CCc2ccsc2C1c1ccc(F)cc1
InChIInChI=1S/C14H12FNO2S/c15-11-3-1-9(2-4-11)12-13-10(6-8-19-13)5-7-16(12)14(17)18/h1-4,6,8,12H,5,7H2,(H,17,18)
InChIKeyOZZMWPMEDCUICR-UHFFFAOYSA-N
XLogP3.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-fluorophenyl)-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 42773975
Thieno(3,2-c)pyridine, 4,5,6,7-tetrahydro-5-((4-fluorophenyl)methyl)-, monohydrochloride
CID 3041335
2-methyl-1-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 57325764
4-(3-fluorophenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridine
CID 46167953
4-(2-fluorophenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridine
CID 67357960
1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 122392531
2-chloro-1-{4-phenyl-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-one
CID 54592463
6-Allyl-7-phenyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine
CID 14548168
1-(4-acetylpiperazin-1-yl)-3-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 46078549
1-(4-acetylpiperazin-1-yl)-2-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 46168000
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-fluorophenyl)methylsulfinyl]ethanone
CID 47022797
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(4-fluorophenyl)methylsulfinyl]ethanone
CID 51077443

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid?
The IUPAC name of 7-(4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid (CID 175596644) is 7-(4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 7-(4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid?
The canonical SMILES for 7-(4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid is O=C(O)N1CCc2ccsc2C1c1ccc(F)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid?
The InChIKey is OZZMWPMEDCUICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2S/c15-11-3-1-9(2-4-11)12-13-10(6-8-19-13)5-7-16(12)14(17)18/h1-4,6,8,12H,5,7H2,(H,17,18).
What are the key properties of 7-(4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid?
7-(4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 175596644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).