3-bromo-5-methoxypyridin-4-amine

C6H7BrN2O — CID 84671199

IUPAC3-bromo-5-methoxypyridin-4-amine
SMILESCOc1cncc(Br)c1N
InChIInChI=1S/C6H7BrN2O/c1-10-5-3-9-2-4(7)6(5)8/h2-3H,1H3,(H2,8,9)
InChIKeyZZLHBCFKRHYIRX-UHFFFAOYSA-N
MW203.04 g/mol
LogP1.43
Rot. Bonds1

About 3-bromo-5-methoxypyridin-4-amine

3-bromo-5-methoxypyridin-4-amine (PubChem CID 84671199) has the molecular formula C6H7BrN2O and a molecular weight of 203.04 g/mol. Its IUPAC name is 3-bromo-5-methoxypyridin-4-amine.

Molecular Properties

Compound Name3-bromo-5-methoxypyridin-4-amine
PubChem CID84671199
Molecular FormulaC6H7BrN2O
Molecular Weight203.04 g/mol
Exact Mass201.97
IUPAC Name3-bromo-5-methoxypyridin-4-amine
SMILESCOc1cncc(Br)c1N
InChIInChI=1S/C6H7BrN2O/c1-10-5-3-9-2-4(7)6(5)8/h2-3H,1H3,(H2,8,9)
InChIKeyZZLHBCFKRHYIRX-UHFFFAOYSA-N
XLogP1.43
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.04
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxypyridin-4-amine?
The IUPAC name of 3-bromo-5-methoxypyridin-4-amine (CID 84671199) is 3-bromo-5-methoxypyridin-4-amine.
What is the SMILES notation for 3-bromo-5-methoxypyridin-4-amine?
The canonical SMILES for 3-bromo-5-methoxypyridin-4-amine is COc1cncc(Br)c1N.
What is the InChIKey of 3-bromo-5-methoxypyridin-4-amine?
The InChIKey is ZZLHBCFKRHYIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O/c1-10-5-3-9-2-4(7)6(5)8/h2-3H,1H3,(H2,8,9).
What are the key properties of 3-bromo-5-methoxypyridin-4-amine?
3-bromo-5-methoxypyridin-4-amine has a molecular weight of 203.04 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxypyridin-4-amine is sourced from PubChem (CID 84671199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).