5-[4-(6-fluoro-1-benzothiophen-2-yl)phenyl]pyridin-2-amine

C19H13FN2S — CID 157338891

IUPAC5-[4-(6-fluoro-1-benzothiophen-2-yl)phenyl]pyridin-2-amine
SMILESNc1ccc(-c2ccc(-c3cc4ccc(F)cc4s3)cc2)cn1
InChIInChI=1S/C19H13FN2S/c20-16-7-5-14-9-17(23-18(14)10-16)13-3-1-12(2-4-13)15-6-8-19(21)22-11-15/h1-11H,(H2,21,22)
InChIKeyIYFQXTBKWKHZPU-UHFFFAOYSA-N
MW320.39 g/mol
LogP5.35
Rot. Bonds2

About 5-[4-(6-fluoro-1-benzothiophen-2-yl)phenyl]pyridin-2-amine

5-[4-(6-fluoro-1-benzothiophen-2-yl)phenyl]pyridin-2-amine (PubChem CID 157338891) has the molecular formula C19H13FN2S and a molecular weight of 320.39 g/mol. Its IUPAC name is 5-[4-(6-fluoro-1-benzothiophen-2-yl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[4-(6-fluoro-1-benzothiophen-2-yl)phenyl]pyridin-2-amine
PubChem CID157338891
Molecular FormulaC19H13FN2S
Molecular Weight320.39 g/mol
Exact Mass320.08
IUPAC Name5-[4-(6-fluoro-1-benzothiophen-2-yl)phenyl]pyridin-2-amine
SMILESNc1ccc(-c2ccc(-c3cc4ccc(F)cc4s3)cc2)cn1
InChIInChI=1S/C19H13FN2S/c20-16-7-5-14-9-17(23-18(14)10-16)13-3-1-12(2-4-13)15-6-8-19(21)22-11-15/h1-11H,(H2,21,22)
InChIKeyIYFQXTBKWKHZPU-UHFFFAOYSA-N
XLogP5.35
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.39
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Aminophenyl)thieno(3,2-c)pyridin-4-amine
CID 18450753
3-(3-Chloro-4-fluorophenyl)-7-(pyridin-3-yl)thieno[3,2-c]pyridin-4-amine
CID 11222000
(+)-(S)-N,N-dimethyl-2-(3-(1-(pyridin-3-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 11515125
N,N-dimethyl-2-(3-(1-(pyridin-3-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 11623756
(-)-(R)-N,N-dimethyl-2-(3-(1-(pyridin-3-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 11659592
(-)-(R)-2-(3-(1-(2-fluoropyridin-3-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 11695591
1-(4-(4-Aminothieno[3,2-c]pyridin-3-yl)phenyl)-3-(3-fluorophenyl)urea
CID 18451372
1-(4-(4-Aminothieno[3,2-c]pyridin-3-yl)phenyl)-3-phenylurea
CID 18451389
Cyp17-IN-1
CID 137635843
6-fluoro-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
CID 137658689
6-fluoro-2-[(4-prop-1-en-2-yl-3-pyridinyl)methyl]-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
CID 137659776
2-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]thieno[3,2-c]pyridin-4-amine
CID 44528520

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-fluoro-1-benzothiophen-2-yl)phenyl]pyridin-2-amine?
The IUPAC name of 5-[4-(6-fluoro-1-benzothiophen-2-yl)phenyl]pyridin-2-amine (CID 157338891) is 5-[4-(6-fluoro-1-benzothiophen-2-yl)phenyl]pyridin-2-amine.
What is the SMILES notation for 5-[4-(6-fluoro-1-benzothiophen-2-yl)phenyl]pyridin-2-amine?
The canonical SMILES for 5-[4-(6-fluoro-1-benzothiophen-2-yl)phenyl]pyridin-2-amine is Nc1ccc(-c2ccc(-c3cc4ccc(F)cc4s3)cc2)cn1.
What is the InChIKey of 5-[4-(6-fluoro-1-benzothiophen-2-yl)phenyl]pyridin-2-amine?
The InChIKey is IYFQXTBKWKHZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2S/c20-16-7-5-14-9-17(23-18(14)10-16)13-3-1-12(2-4-13)15-6-8-19(21)22-11-15/h1-11H,(H2,21,22).
What are the key properties of 5-[4-(6-fluoro-1-benzothiophen-2-yl)phenyl]pyridin-2-amine?
5-[4-(6-fluoro-1-benzothiophen-2-yl)phenyl]pyridin-2-amine has a molecular weight of 320.39 g/mol, XLogP of 5.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-fluoro-1-benzothiophen-2-yl)phenyl]pyridin-2-amine is sourced from PubChem (CID 157338891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).