4-bromo-2,6-difluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline

C15H11BrF2N2S — CID 65467163

IUPAC4-bromo-2,6-difluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
SMILESCC(Nc1c(F)cc(Br)cc1F)c1cnc2ccsc2c1
InChIInChI=1S/C15H11BrF2N2S/c1-8(9-4-14-13(19-7-9)2-3-21-14)20-15-11(17)5-10(16)6-12(15)18/h2-8,20H,1H3
InChIKeyBYJOVHXQCUKENZ-UHFFFAOYSA-N
MW369.23 g/mol
LogP5.51
Rot. Bonds3

About 4-bromo-2,6-difluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline

4-bromo-2,6-difluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline (PubChem CID 65467163) has the molecular formula C15H11BrF2N2S and a molecular weight of 369.23 g/mol. Its IUPAC name is 4-bromo-2,6-difluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline.

Molecular Properties

Compound Name4-bromo-2,6-difluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
PubChem CID65467163
Molecular FormulaC15H11BrF2N2S
Molecular Weight369.23 g/mol
Exact Mass367.98
IUPAC Name4-bromo-2,6-difluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
SMILESCC(Nc1c(F)cc(Br)cc1F)c1cnc2ccsc2c1
InChIInChI=1S/C15H11BrF2N2S/c1-8(9-4-14-13(19-7-9)2-3-21-14)20-15-11(17)5-10(16)6-12(15)18/h2-8,20H,1H3
InChIKeyBYJOVHXQCUKENZ-UHFFFAOYSA-N
XLogP5.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.23
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64829352
2,5-dibromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64830748
2,6-dichloro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 65467399
4-bromo-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64831111
2-fluoro-4-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64829176
4-fluoro-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64828369
3-(1-thieno[3,2-b]pyridin-6-ylethylamino)phenol
CID 64830345
N'-(1-thieno[3,2-b]pyridin-6-ylethyl)ethane-1,2-diamine
CID 64830566
4-(1-thieno[3,2-b]pyridin-6-ylethylamino)benzoic acid
CID 64828980
(2S)-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-1-ol
CID 103789089
4-ethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64830727
2,5-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64829551

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-difluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline?
The IUPAC name of 4-bromo-2,6-difluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline (CID 65467163) is 4-bromo-2,6-difluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline.
What is the SMILES notation for 4-bromo-2,6-difluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline?
The canonical SMILES for 4-bromo-2,6-difluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline is CC(Nc1c(F)cc(Br)cc1F)c1cnc2ccsc2c1.
What is the InChIKey of 4-bromo-2,6-difluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline?
The InChIKey is BYJOVHXQCUKENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2N2S/c1-8(9-4-14-13(19-7-9)2-3-21-14)20-15-11(17)5-10(16)6-12(15)18/h2-8,20H,1H3.
What are the key properties of 4-bromo-2,6-difluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline?
4-bromo-2,6-difluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline has a molecular weight of 369.23 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-difluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline is sourced from PubChem (CID 65467163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).