3-(3-chloro-4-fluorophenyl)thieno[3,2-c]pyridin-4-amine

C13H8ClFN2S — CID 11403217

IUPAC3-(3-chloro-4-fluorophenyl)thieno[3,2-c]pyridin-4-amine
SMILESNc1nccc2scc(-c3ccc(F)c(Cl)c3)c12
InChIInChI=1S/C13H8ClFN2S/c14-9-5-7(1-2-10(9)15)8-6-18-11-3-4-17-13(16)12(8)11/h1-6H,(H2,16,17)
InChIKeyFOYPIBQICZCRBP-UHFFFAOYSA-N
MW278.74 g/mol
LogP4.34
Rot. Bonds1

About 3-(3-chloro-4-fluorophenyl)thieno[3,2-c]pyridin-4-amine

3-(3-chloro-4-fluorophenyl)thieno[3,2-c]pyridin-4-amine (PubChem CID 11403217) has the molecular formula C13H8ClFN2S and a molecular weight of 278.74 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)thieno[3,2-c]pyridin-4-amine
PubChem CID11403217
Molecular FormulaC13H8ClFN2S
Molecular Weight278.74 g/mol
Exact Mass278.01
IUPAC Name3-(3-chloro-4-fluorophenyl)thieno[3,2-c]pyridin-4-amine
SMILESNc1nccc2scc(-c3ccc(F)c(Cl)c3)c12
InChIInChI=1S/C13H8ClFN2S/c14-9-5-7(1-2-10(9)15)8-6-18-11-3-4-17-13(16)12(8)11/h1-6H,(H2,16,17)
InChIKeyFOYPIBQICZCRBP-UHFFFAOYSA-N
XLogP4.34
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)thieno[3,2-c]pyridin-4-amine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)thieno[3,2-c]pyridin-4-amine (CID 11403217) is 3-(3-chloro-4-fluorophenyl)thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)thieno[3,2-c]pyridin-4-amine is Nc1nccc2scc(-c3ccc(F)c(Cl)c3)c12.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)thieno[3,2-c]pyridin-4-amine?
The InChIKey is FOYPIBQICZCRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2S/c14-9-5-7(1-2-10(9)15)8-6-18-11-3-4-17-13(16)12(8)11/h1-6H,(H2,16,17).
What are the key properties of 3-(3-chloro-4-fluorophenyl)thieno[3,2-c]pyridin-4-amine?
3-(3-chloro-4-fluorophenyl)thieno[3,2-c]pyridin-4-amine has a molecular weight of 278.74 g/mol, XLogP of 4.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 11403217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).