5-bromo-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridin-3-amine

C15H15BrN2O2 — CID 61227523

IUPAC5-bromo-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridin-3-amine
SMILESCC1(C)Cc2cccc(Oc3ncc(Br)cc3N)c2O1
InChIInChI=1S/C15H15BrN2O2/c1-15(2)7-9-4-3-5-12(13(9)20-15)19-14-11(17)6-10(16)8-18-14/h3-6,8H,7,17H2,1-2H3
InChIKeyCDRAMFBGGWBSMI-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.93
Rot. Bonds2

About 5-bromo-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridin-3-amine

5-bromo-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridin-3-amine (PubChem CID 61227523) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 5-bromo-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridin-3-amine
PubChem CID61227523
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name5-bromo-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridin-3-amine
SMILESCC1(C)Cc2cccc(Oc3ncc(Br)cc3N)c2O1
InChIInChI=1S/C15H15BrN2O2/c1-15(2)7-9-4-3-5-12(13(9)20-15)19-14-11(17)6-10(16)8-18-14/h3-6,8H,7,17H2,1-2H3
InChIKeyCDRAMFBGGWBSMI-UHFFFAOYSA-N
XLogP3.93
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridin-3-amine?
The IUPAC name of 5-bromo-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridin-3-amine (CID 61227523) is 5-bromo-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridin-3-amine.
What is the SMILES notation for 5-bromo-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridin-3-amine?
The canonical SMILES for 5-bromo-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridin-3-amine is CC1(C)Cc2cccc(Oc3ncc(Br)cc3N)c2O1.
What is the InChIKey of 5-bromo-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridin-3-amine?
The InChIKey is CDRAMFBGGWBSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-15(2)7-9-4-3-5-12(13(9)20-15)19-14-11(17)6-10(16)8-18-14/h3-6,8H,7,17H2,1-2H3.
What are the key properties of 5-bromo-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridin-3-amine?
5-bromo-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridin-3-amine has a molecular weight of 335.20 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]pyridin-3-amine is sourced from PubChem (CID 61227523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).