6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloropyridin-2-amine

C12H9BrClFN2O — CID 62885300

IUPAC6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloropyridin-2-amine
SMILESNc1ccc(Cl)c(COc2ccc(Br)cc2F)n1
InChIInChI=1S/C12H9BrClFN2O/c13-7-1-3-11(9(15)5-7)18-6-10-8(14)2-4-12(16)17-10/h1-5H,6H2,(H2,16,17)
InChIKeyOQDPZDKYQHSBFB-UHFFFAOYSA-N
MW331.57 g/mol
LogP3.80
Rot. Bonds3

About 6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloropyridin-2-amine

6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloropyridin-2-amine (PubChem CID 62885300) has the molecular formula C12H9BrClFN2O and a molecular weight of 331.57 g/mol. Its IUPAC name is 6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloropyridin-2-amine.

Molecular Properties

Compound Name6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloropyridin-2-amine
PubChem CID62885300
Molecular FormulaC12H9BrClFN2O
Molecular Weight331.57 g/mol
Exact Mass329.96
IUPAC Name6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloropyridin-2-amine
SMILESNc1ccc(Cl)c(COc2ccc(Br)cc2F)n1
InChIInChI=1S/C12H9BrClFN2O/c13-7-1-3-11(9(15)5-7)18-6-10-8(14)2-4-12(16)17-10/h1-5H,6H2,(H2,16,17)
InChIKeyOQDPZDKYQHSBFB-UHFFFAOYSA-N
XLogP3.80
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.57
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloropyridin-2-amine?
The IUPAC name of 6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloropyridin-2-amine (CID 62885300) is 6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloropyridin-2-amine.
What is the SMILES notation for 6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloropyridin-2-amine?
The canonical SMILES for 6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloropyridin-2-amine is Nc1ccc(Cl)c(COc2ccc(Br)cc2F)n1.
What is the InChIKey of 6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloropyridin-2-amine?
The InChIKey is OQDPZDKYQHSBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFN2O/c13-7-1-3-11(9(15)5-7)18-6-10-8(14)2-4-12(16)17-10/h1-5H,6H2,(H2,16,17).
What are the key properties of 6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloropyridin-2-amine?
6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloropyridin-2-amine has a molecular weight of 331.57 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloropyridin-2-amine is sourced from PubChem (CID 62885300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).