[6-(4-bromo-1-benzothiophen-2-yl)-3-pyridinyl]methanamine

C14H11BrN2S — CID 115113590

IUPAC[6-(4-bromo-1-benzothiophen-2-yl)-3-pyridinyl]methanamine
SMILESNCc1ccc(-c2cc3c(Br)cccc3s2)nc1
InChIInChI=1S/C14H11BrN2S/c15-11-2-1-3-13-10(11)6-14(18-13)12-5-4-9(7-16)8-17-12/h1-6,8H,7,16H2
InChIKeyDXROPACIUXETCK-UHFFFAOYSA-N
MW319.23 g/mol
LogP4.18
Rot. Bonds2

About [6-(4-bromo-1-benzothiophen-2-yl)-3-pyridinyl]methanamine

[6-(4-bromo-1-benzothiophen-2-yl)-3-pyridinyl]methanamine (PubChem CID 115113590) has the molecular formula C14H11BrN2S and a molecular weight of 319.23 g/mol. Its IUPAC name is [6-(4-bromo-1-benzothiophen-2-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(4-bromo-1-benzothiophen-2-yl)-3-pyridinyl]methanamine
PubChem CID115113590
Molecular FormulaC14H11BrN2S
Molecular Weight319.23 g/mol
Exact Mass317.98
IUPAC Name[6-(4-bromo-1-benzothiophen-2-yl)-3-pyridinyl]methanamine
SMILESNCc1ccc(-c2cc3c(Br)cccc3s2)nc1
InChIInChI=1S/C14H11BrN2S/c15-11-2-1-3-13-10(11)6-14(18-13)12-5-4-9(7-16)8-17-12/h1-6,8H,7,16H2
InChIKeyDXROPACIUXETCK-UHFFFAOYSA-N
XLogP4.18
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(4-bromo-1-benzothiophen-2-yl)-3-pyridinyl]methanamine?
The IUPAC name of [6-(4-bromo-1-benzothiophen-2-yl)-3-pyridinyl]methanamine (CID 115113590) is [6-(4-bromo-1-benzothiophen-2-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(4-bromo-1-benzothiophen-2-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [6-(4-bromo-1-benzothiophen-2-yl)-3-pyridinyl]methanamine is NCc1ccc(-c2cc3c(Br)cccc3s2)nc1.
What is the InChIKey of [6-(4-bromo-1-benzothiophen-2-yl)-3-pyridinyl]methanamine?
The InChIKey is DXROPACIUXETCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2S/c15-11-2-1-3-13-10(11)6-14(18-13)12-5-4-9(7-16)8-17-12/h1-6,8H,7,16H2.
What are the key properties of [6-(4-bromo-1-benzothiophen-2-yl)-3-pyridinyl]methanamine?
[6-(4-bromo-1-benzothiophen-2-yl)-3-pyridinyl]methanamine has a molecular weight of 319.23 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-bromo-1-benzothiophen-2-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 115113590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).