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

C15H13FN2S — CID 24690712

IUPAC3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)c(CN2CCc3sccc3C2)c1
InChIInChI=1S/C15H13FN2S/c16-14-2-1-11(8-17)7-13(14)10-18-5-3-15-12(9-18)4-6-19-15/h1-2,4,6-7H,3,5,9-10H2
InChIKeyLPXSNKDQYTZSLF-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.32
Rot. Bonds2

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

3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-fluorobenzonitrile (PubChem CID 24690712) has the molecular formula C15H13FN2S and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-fluorobenzonitrile.

Molecular Properties

Compound Name3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-fluorobenzonitrile
PubChem CID24690712
Molecular FormulaC15H13FN2S
Molecular Weight272.35 g/mol
Exact Mass272.08
IUPAC Name3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)c(CN2CCc3sccc3C2)c1
InChIInChI=1S/C15H13FN2S/c16-14-2-1-11(8-17)7-13(14)10-18-5-3-15-12(9-18)4-6-19-15/h1-2,4,6-7H,3,5,9-10H2
InChIKeyLPXSNKDQYTZSLF-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
4-(4-fluorophenyl)-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 42773975
4-(4-fluorophenyl)-6-methyl-2-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54581760
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-((3-methylphenyl)methyl)-, monohydrochloride
CID 3041294
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

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-fluorobenzonitrile?
The IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-fluorobenzonitrile (CID 24690712) is 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-fluorobenzonitrile.
What is the SMILES notation for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-fluorobenzonitrile?
The canonical SMILES for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-fluorobenzonitrile is N#Cc1ccc(F)c(CN2CCc3sccc3C2)c1.
What is the InChIKey of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-fluorobenzonitrile?
The InChIKey is LPXSNKDQYTZSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2S/c16-14-2-1-11(8-17)7-13(14)10-18-5-3-15-12(9-18)4-6-19-15/h1-2,4,6-7H,3,5,9-10H2.
What are the key properties of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-fluorobenzonitrile?
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-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 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-4-fluorobenzonitrile is sourced from PubChem (CID 24690712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).