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

C14H12N2O2 — CID 46881596

IUPAC2-[6-(methylamino)-3-pyridinyl]-1-benzofuran-6-ol
SMILESCNc1ccc(-c2cc3ccc(O)cc3o2)cn1
InChIInChI=1S/C14H12N2O2/c1-15-14-5-3-10(8-16-14)12-6-9-2-4-11(17)7-13(9)18-12/h2-8,17H,1H3,(H,15,16)
InChIKeyPXQDZDPBVYBACM-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.24
Rot. Bonds2

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

2-[6-(methylamino)-3-pyridinyl]-1-benzofuran-6-ol (PubChem CID 46881596) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[6-(methylamino)-3-pyridinyl]-1-benzofuran-6-ol.

Molecular Properties

Compound Name2-[6-(methylamino)-3-pyridinyl]-1-benzofuran-6-ol
PubChem CID46881596
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name2-[6-(methylamino)-3-pyridinyl]-1-benzofuran-6-ol
SMILESCNc1ccc(-c2cc3ccc(O)cc3o2)cn1
InChIInChI=1S/C14H12N2O2/c1-15-14-5-3-10(8-16-14)12-6-9-2-4-11(17)7-13(9)18-12/h2-8,17H,1H3,(H,15,16)
InChIKeyPXQDZDPBVYBACM-UHFFFAOYSA-N
XLogP3.24
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Flutafuranol
CID 24896605
5-[5-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N-methylpyridin-2-amine
CID 52951982
6-methoxy-7-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-[(Z)-pyrazolo[3,4-b]pyridin-3-ylidenemethyl]-1-benzofuran-3-ol
CID 137189818
(E)-1-(2,4-dimethoxyphenyl)-3-(pyridin-2-ylamino)prop-2-en-1-one
CID 1893913
3-(6-{2-[6-(Methylamino)-2-pyridyl]ethoxy}benzo[b]furan-3-yl)propanoic acid
CID 9924032
2-(5-Fluoro-6-methylamino-pyridin-3-yl)-benzofuran-5-ol
CID 25015016
4,6-dihydroxy-2-((1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylene)benzofuran-3(2H)-one
CID 46884123
6-hydroxy-2-((1-methyl-4-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylene)benzofuran-3(2H)-one
CID 46884156
5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N-methylpyridin-2-amine
CID 52951730
(2Z)-6-hydroxy-7-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1-benzofuran-3-one
CID 86681992
Flutafuranol F 18
CID 44815683
5-(6-methoxy-1-benzofuran-2-yl)-N-methylpyridin-2-amine
CID 46881597

Frequently Asked Questions

What is the IUPAC name of 2-[6-(methylamino)-3-pyridinyl]-1-benzofuran-6-ol?
The IUPAC name of 2-[6-(methylamino)-3-pyridinyl]-1-benzofuran-6-ol (CID 46881596) is 2-[6-(methylamino)-3-pyridinyl]-1-benzofuran-6-ol.
What is the SMILES notation for 2-[6-(methylamino)-3-pyridinyl]-1-benzofuran-6-ol?
The canonical SMILES for 2-[6-(methylamino)-3-pyridinyl]-1-benzofuran-6-ol is CNc1ccc(-c2cc3ccc(O)cc3o2)cn1.
What is the InChIKey of 2-[6-(methylamino)-3-pyridinyl]-1-benzofuran-6-ol?
The InChIKey is PXQDZDPBVYBACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-15-14-5-3-10(8-16-14)12-6-9-2-4-11(17)7-13(9)18-12/h2-8,17H,1H3,(H,15,16).
What are the key properties of 2-[6-(methylamino)-3-pyridinyl]-1-benzofuran-6-ol?
2-[6-(methylamino)-3-pyridinyl]-1-benzofuran-6-ol has a molecular weight of 240.26 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(methylamino)-3-pyridinyl]-1-benzofuran-6-ol is sourced from PubChem (CID 46881596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).