[5-pyridin-2-yl-7-(tritiomethoxy)-1-benzofuran-2-yl]methanamine

C15H14N2O2 — CID 175226765

IUPAC[5-pyridin-2-yl-7-(tritiomethoxy)-1-benzofuran-2-yl]methanamine
SMILES[3H]COc1cc(-c2ccccn2)cc2cc(CN)oc12
InChIInChI=1S/C15H14N2O2/c1-18-14-8-10(13-4-2-3-5-17-13)6-11-7-12(9-16)19-15(11)14/h2-8H,9,16H2,1H3/i1T
InChIKeyLLKLGYZMIDQLIG-CNRUNOGKSA-N
MW256.30 g/mol
LogP2.96
Rot. Bonds4

About [5-pyridin-2-yl-7-(tritiomethoxy)-1-benzofuran-2-yl]methanamine

[5-pyridin-2-yl-7-(tritiomethoxy)-1-benzofuran-2-yl]methanamine (PubChem CID 175226765) has the molecular formula C15H14N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is [5-pyridin-2-yl-7-(tritiomethoxy)-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[5-pyridin-2-yl-7-(tritiomethoxy)-1-benzofuran-2-yl]methanamine
PubChem CID175226765
Molecular FormulaC15H14N2O2
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name[5-pyridin-2-yl-7-(tritiomethoxy)-1-benzofuran-2-yl]methanamine
SMILES[3H]COc1cc(-c2ccccn2)cc2cc(CN)oc12
InChIInChI=1S/C15H14N2O2/c1-18-14-8-10(13-4-2-3-5-17-13)6-11-7-12(9-16)19-15(11)14/h2-8H,9,16H2,1H3/i1T
InChIKeyLLKLGYZMIDQLIG-CNRUNOGKSA-N
XLogP2.96
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-pyridin-2-yl-7-(tritiomethoxy)-1-benzofuran-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(7-Methoxy-1-benzofuran-2-yl)-2-pyrimidinamine
CID 1480563
{5-[(2-methoxy-4-propylphenoxy)methyl](2-furyl)}-N-(3-pyridylmethyl)carboxamid e
CID 1091781
2-(3-Cyclopentyloxy-4-methoxyphenyl)-5-(2-pyridyl)furan
CID 10065530
2-acetyl-7-methoxy-N-pyridin-4-yl-1-benzofuran-4-carboxamide
CID 15887290
Sodium 5-(3-pyridinylmethyl)-2-benzofurancarboxylate
CID 23663954
6,7-Dimethoxy-2-((7-methoxy-2-(pyridin-2-yl)benzofuran-4-yl)methyl)-1,2,3,4-tetrahydroisoquinoline
CID 44438148
5-ethyl-3-methyl-N-(4-pyridinylmethyl)-1-benzofuran-2-carboxamide
CID 852715
6-(6-Methoxy-1-benzofuran-2-yl)pyridine-3-carboxamide
CID 46881599
1-Benzyl-4-(7-methoxy-1-benzofuran-2-yl)pyridin-1-ium bromide
CID 118730829
1-[(3-Fluorophenyl)methyl]-4-(7-methoxy-1-benzofuran-2-yl)pyridin-1-ium bromide
CID 118730831
3-[2-(4-Methoxyphenyl)-1-benzofuran-3-yl]pyridine
CID 145955911
N-[[5-(3,4-dimethoxyphenyl)furan-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine
CID 155522511

Frequently Asked Questions

What is the IUPAC name of [5-pyridin-2-yl-7-(tritiomethoxy)-1-benzofuran-2-yl]methanamine?
The IUPAC name of [5-pyridin-2-yl-7-(tritiomethoxy)-1-benzofuran-2-yl]methanamine (CID 175226765) is [5-pyridin-2-yl-7-(tritiomethoxy)-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [5-pyridin-2-yl-7-(tritiomethoxy)-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [5-pyridin-2-yl-7-(tritiomethoxy)-1-benzofuran-2-yl]methanamine is [3H]COc1cc(-c2ccccn2)cc2cc(CN)oc12.
What is the InChIKey of [5-pyridin-2-yl-7-(tritiomethoxy)-1-benzofuran-2-yl]methanamine?
The InChIKey is LLKLGYZMIDQLIG-CNRUNOGKSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-18-14-8-10(13-4-2-3-5-17-13)6-11-7-12(9-16)19-15(11)14/h2-8H,9,16H2,1H3/i1T.
What are the key properties of [5-pyridin-2-yl-7-(tritiomethoxy)-1-benzofuran-2-yl]methanamine?
[5-pyridin-2-yl-7-(tritiomethoxy)-1-benzofuran-2-yl]methanamine has a molecular weight of 256.30 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-pyridin-2-yl-7-(tritiomethoxy)-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 175226765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).