7-(2,3-difluorophenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine

C13H11F2NS — CID 54276140

IUPAC7-(2,3-difluorophenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESFc1cccc(C2NCCc3ccsc32)c1F
InChIInChI=1S/C13H11F2NS/c14-10-3-1-2-9(11(10)15)12-13-8(4-6-16-12)5-7-17-13/h1-3,5,7,12,16H,4,6H2
InChIKeyRNOHXEKAYWIHOZ-UHFFFAOYSA-N
MW251.30 g/mol
LogP3.26
Rot. Bonds1

About 7-(2,3-difluorophenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine

7-(2,3-difluorophenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (PubChem CID 54276140) has the molecular formula C13H11F2NS and a molecular weight of 251.30 g/mol. Its IUPAC name is 7-(2,3-difluorophenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.

Molecular Properties

Compound Name7-(2,3-difluorophenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
PubChem CID54276140
Molecular FormulaC13H11F2NS
Molecular Weight251.30 g/mol
Exact Mass251.06
IUPAC Name7-(2,3-difluorophenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESFc1cccc(C2NCCc3ccsc32)c1F
InChIInChI=1S/C13H11F2NS/c14-10-3-1-2-9(11(10)15)12-13-8(4-6-16-12)5-7-17-13/h1-3,5,7,12,16H,4,6H2
InChIKeyRNOHXEKAYWIHOZ-UHFFFAOYSA-N
XLogP3.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-(2,3-difluorophenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine with MolForge

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Related Compounds

3-fluoro-4-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-7-yl)phenol
CID 67721864
7-(2-fluoro-4,5-dimethoxyphenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 19959701
(1R)-1-(2-methylthiophen-3-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 168869352
(1R)-1-(2,4-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline
CID 138690017
7-pyrimidin-5-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 165478413
6-methoxy-1-(2,3,4-trifluorophenyl)-1,2,3,4-tetrahydroisoquinoline
CID 106543754
4-methyl-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]thiadiazole
CID 70167759
7-(2-cyclopropylethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 165470491
N,N-dimethyl-1-[(7S)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-7-yl]methanamine
CID 124604286
(5aS,11bR)-4,5,5a,6,7,11b-hexahydronaphtho[2,1-g][1]benzothiole
CID 56653927
2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-7-yl)acetic acid
CID 82398858
(1S)-1-(2,6-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 686375

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-difluorophenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The IUPAC name of 7-(2,3-difluorophenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (CID 54276140) is 7-(2,3-difluorophenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.
What is the SMILES notation for 7-(2,3-difluorophenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The canonical SMILES for 7-(2,3-difluorophenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine is Fc1cccc(C2NCCc3ccsc32)c1F.
What is the InChIKey of 7-(2,3-difluorophenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The InChIKey is RNOHXEKAYWIHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NS/c14-10-3-1-2-9(11(10)15)12-13-8(4-6-16-12)5-7-17-13/h1-3,5,7,12,16H,4,6H2.
What are the key properties of 7-(2,3-difluorophenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
7-(2,3-difluorophenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine has a molecular weight of 251.30 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-difluorophenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine is sourced from PubChem (CID 54276140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).