6-(5-bromo-1-benzofuran-2-yl)pyridin-3-amine

C13H9BrN2O — CID 115110800

IUPAC6-(5-bromo-1-benzofuran-2-yl)pyridin-3-amine
SMILESNc1ccc(-c2cc3cc(Br)ccc3o2)nc1
InChIInChI=1S/C13H9BrN2O/c14-9-1-4-12-8(5-9)6-13(17-12)11-3-2-10(15)7-16-11/h1-7H,15H2
InChIKeyYQFRTMDOUFXGRZ-UHFFFAOYSA-N
MW289.13 g/mol
LogP3.84
Rot. Bonds1

About 6-(5-bromo-1-benzofuran-2-yl)pyridin-3-amine

6-(5-bromo-1-benzofuran-2-yl)pyridin-3-amine (PubChem CID 115110800) has the molecular formula C13H9BrN2O and a molecular weight of 289.13 g/mol. Its IUPAC name is 6-(5-bromo-1-benzofuran-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-(5-bromo-1-benzofuran-2-yl)pyridin-3-amine
PubChem CID115110800
Molecular FormulaC13H9BrN2O
Molecular Weight289.13 g/mol
Exact Mass287.99
IUPAC Name6-(5-bromo-1-benzofuran-2-yl)pyridin-3-amine
SMILESNc1ccc(-c2cc3cc(Br)ccc3o2)nc1
InChIInChI=1S/C13H9BrN2O/c14-9-1-4-12-8(5-9)6-13(17-12)11-3-2-10(15)7-16-11/h1-7H,15H2
InChIKeyYQFRTMDOUFXGRZ-UHFFFAOYSA-N
XLogP3.84
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(5-bromo-1-methylindol-2-yl)pyridin-3-amine
CID 115110436
4-(5-bromo-1-benzofuran-2-yl)-N-methylpyrimidin-2-amine
CID 55222406
1-[4-(5-bromo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]butan-2-amine
CID 62646770
2-(5-bromo-2-pyridinyl)-1,3-benzoxazol-5-amine
CID 55154764
5-(5-bromo-1-benzofuran-2-yl)-N-tert-butyl-1H-pyrazol-3-amine
CID 63530942
7-bromo-2-(7-bromobenzo[f][1]benzofuran-2-yl)benzo[f][1]benzofuran
CID 71108528
5-bromo-2-[2-(5-bromo-1-benzofuran-2-yl)ethynyl]-1-benzofuran
CID 18624240
6-(5-amino-2-pyridinyl)pyridin-3-amine;dihydrochloride
CID 11557953
2,5-bis(1-benzofuran-2-yl)pyrazine
CID 86184221
(1R)-1-(5-bromo-1-benzofuran-2-yl)prop-2-en-1-amine
CID 130713073
3-(5-bromo-1-benzofuran-2-yl)-1,4-dihydropyrazol-5-one
CID 114763722
6-(6-bromo-1H-indol-3-yl)pyridin-3-amine
CID 115110543

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-1-benzofuran-2-yl)pyridin-3-amine?
The IUPAC name of 6-(5-bromo-1-benzofuran-2-yl)pyridin-3-amine (CID 115110800) is 6-(5-bromo-1-benzofuran-2-yl)pyridin-3-amine.
What is the SMILES notation for 6-(5-bromo-1-benzofuran-2-yl)pyridin-3-amine?
The canonical SMILES for 6-(5-bromo-1-benzofuran-2-yl)pyridin-3-amine is Nc1ccc(-c2cc3cc(Br)ccc3o2)nc1.
What is the InChIKey of 6-(5-bromo-1-benzofuran-2-yl)pyridin-3-amine?
The InChIKey is YQFRTMDOUFXGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O/c14-9-1-4-12-8(5-9)6-13(17-12)11-3-2-10(15)7-16-11/h1-7H,15H2.
What are the key properties of 6-(5-bromo-1-benzofuran-2-yl)pyridin-3-amine?
6-(5-bromo-1-benzofuran-2-yl)pyridin-3-amine has a molecular weight of 289.13 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-1-benzofuran-2-yl)pyridin-3-amine is sourced from PubChem (CID 115110800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).