4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluorobenzonitrile

C15H13FN2S — CID 24711261

IUPAC4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluorobenzonitrile
SMILESN#Cc1ccc(CN2CCc3sccc3C2)c(F)c1
InChIInChI=1S/C15H13FN2S/c16-14-7-11(8-17)1-2-12(14)9-18-5-3-15-13(10-18)4-6-19-15/h1-2,4,6-7H,3,5,9-10H2
InChIKeyZMTGQNPQIIGLRV-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.32
Rot. Bonds2

About 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluorobenzonitrile

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluorobenzonitrile (PubChem CID 24711261) has the molecular formula C15H13FN2S and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluorobenzonitrile
PubChem CID24711261
Molecular FormulaC15H13FN2S
Molecular Weight272.35 g/mol
Exact Mass272.08
IUPAC Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluorobenzonitrile
SMILESN#Cc1ccc(CN2CCc3sccc3C2)c(F)c1
InChIInChI=1S/C15H13FN2S/c16-14-7-11(8-17)1-2-12(14)9-18-5-3-15-13(10-18)4-6-19-15/h1-2,4,6-7H,3,5,9-10H2
InChIKeyZMTGQNPQIIGLRV-UHFFFAOYSA-N
XLogP3.32
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Benzonitrile, 2-((4,5,6,7-tetrahydrothieno(3,2-c)pyridin-5-yl)methyl)-
CID 133950
Thieno(3,2-c)pyridine, 4,5,6,7-tetrahydro-5-(2-phenylethyl)-, monohydrochloride
CID 3041288
Thieno(3,2-c)pyridine, 4,5,6,7-tetrahydro-5-((4-methylphenyl)methyl)-, monohydrochloride
CID 3041306
Thieno(3,2-c)pyridine, 4,5,6,7-tetrahydro-5-((4-fluorophenyl)methyl)-, monohydrochloride
CID 3041335
1-(4-fluorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)methanamine
CID 94897962
({1-[2-(2-Fluorophenyl)ethyl]-4-piperidinyl}methyl)methyl(3-thienylmethyl)amine
CID 42457179
1-[1-[2-(3,5-difluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine
CID 168269702
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine
CID 168270792
1-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine
CID 168274531
1-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine
CID 168276449
1-[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine
CID 168289606
1-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine
CID 168291574

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluorobenzonitrile?
The IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluorobenzonitrile (CID 24711261) is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluorobenzonitrile.
What is the SMILES notation for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluorobenzonitrile?
The canonical SMILES for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluorobenzonitrile is N#Cc1ccc(CN2CCc3sccc3C2)c(F)c1.
What is the InChIKey of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluorobenzonitrile?
The InChIKey is ZMTGQNPQIIGLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2S/c16-14-7-11(8-17)1-2-12(14)9-18-5-3-15-13(10-18)4-6-19-15/h1-2,4,6-7H,3,5,9-10H2.
What are the key properties of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluorobenzonitrile?
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluorobenzonitrile has a molecular weight of 272.35 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-fluorobenzonitrile is sourced from PubChem (CID 24711261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).