6-(7-methoxy-1-benzothiophen-2-yl)pyridin-3-amine

C14H12N2OS — CID 115110710

IUPAC6-(7-methoxy-1-benzothiophen-2-yl)pyridin-3-amine
SMILESCOc1cccc2cc(-c3ccc(N)cn3)sc12
InChIInChI=1S/C14H12N2OS/c1-17-12-4-2-3-9-7-13(18-14(9)12)11-6-5-10(15)8-16-11/h2-8H,15H2,1H3
InChIKeyCZCLNGIIMROYPZ-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.55
Rot. Bonds2

About 6-(7-methoxy-1-benzothiophen-2-yl)pyridin-3-amine

6-(7-methoxy-1-benzothiophen-2-yl)pyridin-3-amine (PubChem CID 115110710) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 6-(7-methoxy-1-benzothiophen-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-(7-methoxy-1-benzothiophen-2-yl)pyridin-3-amine
PubChem CID115110710
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name6-(7-methoxy-1-benzothiophen-2-yl)pyridin-3-amine
SMILESCOc1cccc2cc(-c3ccc(N)cn3)sc12
InChIInChI=1S/C14H12N2OS/c1-17-12-4-2-3-9-7-13(18-14(9)12)11-6-5-10(15)8-16-11/h2-8H,15H2,1H3
InChIKeyCZCLNGIIMROYPZ-UHFFFAOYSA-N
XLogP3.55
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(7-methoxy-1-benzothiophen-2-yl)pyridin-3-amine?
The IUPAC name of 6-(7-methoxy-1-benzothiophen-2-yl)pyridin-3-amine (CID 115110710) is 6-(7-methoxy-1-benzothiophen-2-yl)pyridin-3-amine.
What is the SMILES notation for 6-(7-methoxy-1-benzothiophen-2-yl)pyridin-3-amine?
The canonical SMILES for 6-(7-methoxy-1-benzothiophen-2-yl)pyridin-3-amine is COc1cccc2cc(-c3ccc(N)cn3)sc12.
What is the InChIKey of 6-(7-methoxy-1-benzothiophen-2-yl)pyridin-3-amine?
The InChIKey is CZCLNGIIMROYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-17-12-4-2-3-9-7-13(18-14(9)12)11-6-5-10(15)8-16-11/h2-8H,15H2,1H3.
What are the key properties of 6-(7-methoxy-1-benzothiophen-2-yl)pyridin-3-amine?
6-(7-methoxy-1-benzothiophen-2-yl)pyridin-3-amine has a molecular weight of 256.33 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-methoxy-1-benzothiophen-2-yl)pyridin-3-amine is sourced from PubChem (CID 115110710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).