6-(1-benzothiophen-2-ylmethoxy)pyridin-2-amine

C14H12N2OS — CID 22902131

IUPAC6-(1-benzothiophen-2-ylmethoxy)pyridin-2-amine
SMILESNc1cccc(OCc2cc3ccccc3s2)n1
InChIInChI=1S/C14H12N2OS/c15-13-6-3-7-14(16-13)17-9-11-8-10-4-1-2-5-12(10)18-11/h1-8H,9H2,(H2,15,16)
InChIKeyCFGHKQGCEHEYJM-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.46
Rot. Bonds3

About 6-(1-benzothiophen-2-ylmethoxy)pyridin-2-amine

6-(1-benzothiophen-2-ylmethoxy)pyridin-2-amine (PubChem CID 22902131) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 6-(1-benzothiophen-2-ylmethoxy)pyridin-2-amine.

Molecular Properties

Compound Name6-(1-benzothiophen-2-ylmethoxy)pyridin-2-amine
PubChem CID22902131
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name6-(1-benzothiophen-2-ylmethoxy)pyridin-2-amine
SMILESNc1cccc(OCc2cc3ccccc3s2)n1
InChIInChI=1S/C14H12N2OS/c15-13-6-3-7-14(16-13)17-9-11-8-10-4-1-2-5-12(10)18-11/h1-8H,9H2,(H2,15,16)
InChIKeyCFGHKQGCEHEYJM-UHFFFAOYSA-N
XLogP3.46
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzothiophen-2-ylmethoxy)pyridin-2-amine?
The IUPAC name of 6-(1-benzothiophen-2-ylmethoxy)pyridin-2-amine (CID 22902131) is 6-(1-benzothiophen-2-ylmethoxy)pyridin-2-amine.
What is the SMILES notation for 6-(1-benzothiophen-2-ylmethoxy)pyridin-2-amine?
The canonical SMILES for 6-(1-benzothiophen-2-ylmethoxy)pyridin-2-amine is Nc1cccc(OCc2cc3ccccc3s2)n1.
What is the InChIKey of 6-(1-benzothiophen-2-ylmethoxy)pyridin-2-amine?
The InChIKey is CFGHKQGCEHEYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c15-13-6-3-7-14(16-13)17-9-11-8-10-4-1-2-5-12(10)18-11/h1-8H,9H2,(H2,15,16).
What are the key properties of 6-(1-benzothiophen-2-ylmethoxy)pyridin-2-amine?
6-(1-benzothiophen-2-ylmethoxy)pyridin-2-amine has a molecular weight of 256.33 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzothiophen-2-ylmethoxy)pyridin-2-amine is sourced from PubChem (CID 22902131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).