2-[2-(18F)fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-ol

C14H11FN2O2 — CID 44815683

IUPAC2-[2-(18F)fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-ol
SMILESCNc1ccc(-c2cc3cc(O)ccc3o2)c([18F])n1
InChIInChI=1S/C14H11FN2O2/c1-16-13-5-3-10(14(15)17-13)12-7-8-6-9(18)2-4-11(8)19-12/h2-7,18H,1H3,(H,16,17)/i15-1
InChIKeyMYNQXTDIPMCJCR-HUYCHCPVSA-N
MW257.25 g/mol
LogP3.38
Rot. Bonds2

About 2-[2-(18F)fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-ol

2-[2-(18F)fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-ol (PubChem CID 44815683) has the molecular formula C14H11FN2O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-[2-(18F)fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-ol.

Molecular Properties

Compound Name2-[2-(18F)fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-ol
PubChem CID44815683
Molecular FormulaC14H11FN2O2
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name2-[2-(18F)fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-ol
SMILESCNc1ccc(-c2cc3cc(O)ccc3o2)c([18F])n1
InChIInChI=1S/C14H11FN2O2/c1-16-13-5-3-10(14(15)17-13)12-7-8-6-9(18)2-4-11(8)19-12/h2-7,18H,1H3,(H,16,17)/i15-1
InChIKeyMYNQXTDIPMCJCR-HUYCHCPVSA-N
XLogP3.38
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(18F)fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-ol?
The IUPAC name of 2-[2-(18F)fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-ol (CID 44815683) is 2-[2-(18F)fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-ol.
What is the SMILES notation for 2-[2-(18F)fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-ol?
The canonical SMILES for 2-[2-(18F)fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-ol is CNc1ccc(-c2cc3cc(O)ccc3o2)c([18F])n1.
What is the InChIKey of 2-[2-(18F)fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-ol?
The InChIKey is MYNQXTDIPMCJCR-HUYCHCPVSA-N. The full InChI is InChI=1S/C14H11FN2O2/c1-16-13-5-3-10(14(15)17-13)12-7-8-6-9(18)2-4-11(8)19-12/h2-7,18H,1H3,(H,16,17)/i15-1.
What are the key properties of 2-[2-(18F)fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-ol?
2-[2-(18F)fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-ol has a molecular weight of 257.25 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(18F)fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-ol is sourced from PubChem (CID 44815683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).