2-fluoro-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylic acid

C14H12FNO2S — CID 138556108

IUPAC2-fluoro-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylic acid
SMILESO=C(O)N1CCc2sc(F)cc2C1c1ccccc1
InChIInChI=1S/C14H12FNO2S/c15-12-8-10-11(19-12)6-7-16(14(17)18)13(10)9-4-2-1-3-5-9/h1-5,8,13H,6-7H2,(H,17,18)
InChIKeyJHEZZFIRSFVXHA-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.51
Rot. Bonds1

About 2-fluoro-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylic acid

2-fluoro-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylic acid (PubChem CID 138556108) has the molecular formula C14H12FNO2S and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-fluoro-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-fluoro-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylic acid
PubChem CID138556108
Molecular FormulaC14H12FNO2S
Molecular Weight277.32 g/mol
Exact Mass277.06
IUPAC Name2-fluoro-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylic acid
SMILESO=C(O)N1CCc2sc(F)cc2C1c1ccccc1
InChIInChI=1S/C14H12FNO2S/c15-12-8-10-11(19-12)6-7-16(14(17)18)13(10)9-4-2-1-3-5-9/h1-5,8,13H,6-7H2,(H,17,18)
InChIKeyJHEZZFIRSFVXHA-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

1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 122392531
1-(4-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 122392527
3,4-dihydro-1H-benzothiopheno[2,3-c]pyridine-2-carboxylic acid
CID 427082
(R)-1-(4-(4-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)pent-4-en-1-one
CID 122361313
1-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]octan-1-one
CID 5032198
5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 3041336
5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 3042998
5-[(2-fluorophenyl)methyl]-6-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 15887853
5-[1-(2-fluorophenyl)hexyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 57274160
1-(3,6-dihydro-2H-pyridin-1-yl)-4-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butane-1,4-dione
CID 67358293
5-[2-cyclopropyl-1-(2-fluorophenyl)prop-2-enyl]-2-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 68006609
Thiophen-3-ylmethyl-[(2,4,5-trifluorophenyl)methyl]carbamic acid
CID 68903867

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylic acid?
The IUPAC name of 2-fluoro-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylic acid (CID 138556108) is 2-fluoro-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-fluoro-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylic acid?
The canonical SMILES for 2-fluoro-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylic acid is O=C(O)N1CCc2sc(F)cc2C1c1ccccc1.
What is the InChIKey of 2-fluoro-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylic acid?
The InChIKey is JHEZZFIRSFVXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2S/c15-12-8-10-11(19-12)6-7-16(14(17)18)13(10)9-4-2-1-3-5-9/h1-5,8,13H,6-7H2,(H,17,18).
What are the key properties of 2-fluoro-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylic acid?
2-fluoro-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-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 2-fluoro-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 138556108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).