5-bromo-4-pyridin-3-ylfuran-2-amine

C9H7BrN2O — CID 98771474

IUPAC5-bromo-4-pyridin-3-ylfuran-2-amine
SMILESNc1cc(-c2cccnc2)c(Br)o1
InChIInChI=1S/C9H7BrN2O/c10-9-7(4-8(11)13-9)6-2-1-3-12-5-6/h1-5H,11H2
InChIKeyBJGKDERJCGDFEL-UHFFFAOYSA-N
MW239.07 g/mol
LogP2.69
Rot. Bonds1

About 5-bromo-4-pyridin-3-ylfuran-2-amine

5-bromo-4-pyridin-3-ylfuran-2-amine (PubChem CID 98771474) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 5-bromo-4-pyridin-3-ylfuran-2-amine.

Molecular Properties

Compound Name5-bromo-4-pyridin-3-ylfuran-2-amine
PubChem CID98771474
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name5-bromo-4-pyridin-3-ylfuran-2-amine
SMILESNc1cc(-c2cccnc2)c(Br)o1
InChIInChI=1S/C9H7BrN2O/c10-9-7(4-8(11)13-9)6-2-1-3-12-5-6/h1-5H,11H2
InChIKeyBJGKDERJCGDFEL-UHFFFAOYSA-N
XLogP2.69
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-pyridin-3-ylpyridin-2-amine
CID 119084821
4-fluoro-2,6-dipyridin-3-ylaniline
CID 46316799
2,4-dipyridin-3-ylaniline
CID 46316358
3-(2,5-dimethyl-4-pyridin-3-ylphenyl)pyridine
CID 155748097
3-(4-bromothiophen-2-yl)pyridine
CID 22180781
3-(5-pyridin-3-ylnaphthalen-1-yl)pyridine
CID 169050404
5-ethyl-3-pyridin-3-ylthiophen-2-amine
CID 82366209
3-(4-pyridin-3-ylthiophen-3-yl)pyridine
CID 46316707
3-(2-fluoro-4-iodo-5-pyridin-3-ylphenyl)pyridine
CID 46316515
5-pyridin-3-ylpyrimidine-2,4-diamine
CID 118493821
3-(3-bromo-2-fluorophenyl)pyridine
CID 67900310
(2,6-dipyridin-3-ylphenyl)methanol
CID 46316451

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-pyridin-3-ylfuran-2-amine?
The IUPAC name of 5-bromo-4-pyridin-3-ylfuran-2-amine (CID 98771474) is 5-bromo-4-pyridin-3-ylfuran-2-amine.
What is the SMILES notation for 5-bromo-4-pyridin-3-ylfuran-2-amine?
The canonical SMILES for 5-bromo-4-pyridin-3-ylfuran-2-amine is Nc1cc(-c2cccnc2)c(Br)o1.
What is the InChIKey of 5-bromo-4-pyridin-3-ylfuran-2-amine?
The InChIKey is BJGKDERJCGDFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c10-9-7(4-8(11)13-9)6-2-1-3-12-5-6/h1-5H,11H2.
What are the key properties of 5-bromo-4-pyridin-3-ylfuran-2-amine?
5-bromo-4-pyridin-3-ylfuran-2-amine has a molecular weight of 239.07 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-pyridin-3-ylfuran-2-amine is sourced from PubChem (CID 98771474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).