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

C14H11FN2O2 — CID 25015016

IUPAC2-[5-fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-ol
SMILESCNc1ncc(-c2cc3cc(O)ccc3o2)cc1F
InChIInChI=1S/C14H11FN2O2/c1-16-14-11(15)5-9(7-17-14)13-6-8-4-10(18)2-3-12(8)19-13/h2-7,18H,1H3,(H,16,17)
InChIKeyPQCXZHFSSVHSPI-UHFFFAOYSA-N
MW258.25 g/mol
LogP3.38
Rot. Bonds2

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

2-[5-fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-ol (PubChem CID 25015016) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is 2-[5-fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-ol.

Molecular Properties

Compound Name2-[5-fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-ol
PubChem CID25015016
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC Name2-[5-fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-ol
SMILESCNc1ncc(-c2cc3cc(O)ccc3o2)cc1F
InChIInChI=1S/C14H11FN2O2/c1-16-14-11(15)5-9(7-17-14)13-6-8-4-10(18)2-3-12(8)19-13/h2-7,18H,1H3,(H,16,17)
InChIKeyPQCXZHFSSVHSPI-UHFFFAOYSA-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 ≤ 500258.25
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Flutafuranol
CID 24896605
5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N,N-dimethylpyridin-2-amine
CID 54586250
5-[5-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N-methylpyridin-2-amine
CID 52951982
5-[5-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N,N-dimethylpyridin-2-amine
CID 49800165
5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N-methylpyridin-2-amine
CID 52951730
Flutafuranol F 18
CID 44815683
2-[6-(Methylamino)-3-pyridinyl]-1-benzofuran-6-ol
CID 46881596
5-(6-methoxy-1-benzofuran-2-yl)-N-methylpyridin-2-amine
CID 46881597
N',N'-dimethyl-N-[5-(4,5,7,7-tetramethyl-8,9-dihydrofuro[3,2-f]chromen-2-yl)-2-pyridinyl]propane-1,3-diamine
CID 44127268
2-[2-Fluoro-6-(tritritiomethylamino)-3-pyridinyl]-1-benzofuran-5-ol
CID 70694625
5-Fluoro-2-[[[3-(furan-2-yl)-2-pyridinyl]amino]methyl]phenol
CID 171807264
1-{[(E)-4-Methyl-pyridin-2-ylimino]-methyl}-6,7,8,9-tetrahydro-dibenzofuran-2-ol
CID 914415

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-ol?
The IUPAC name of 2-[5-fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-ol (CID 25015016) is 2-[5-fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-ol.
What is the SMILES notation for 2-[5-fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-ol?
The canonical SMILES for 2-[5-fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-ol is CNc1ncc(-c2cc3cc(O)ccc3o2)cc1F.
What is the InChIKey of 2-[5-fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-ol?
The InChIKey is PQCXZHFSSVHSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2/c1-16-14-11(15)5-9(7-17-14)13-6-8-4-10(18)2-3-12(8)19-13/h2-7,18H,1H3,(H,16,17).
What are the key properties of 2-[5-fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-ol?
2-[5-fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-ol has a molecular weight of 258.25 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-[5-fluoro-6-(methylamino)-3-pyridinyl]-1-benzofuran-5-ol is sourced from PubChem (CID 25015016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).