6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloro-N-methylpyridin-2-amine

C13H11BrClFN2O — CID 55127793

IUPAC6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloro-N-methylpyridin-2-amine
SMILESCNc1ccc(Cl)c(COc2ccc(Br)cc2F)n1
InChIInChI=1S/C13H11BrClFN2O/c1-17-13-5-3-9(15)11(18-13)7-19-12-4-2-8(14)6-10(12)16/h2-6H,7H2,1H3,(H,17,18)
InChIKeyOOGHGNUULCHBMX-UHFFFAOYSA-N
MW345.60 g/mol
LogP4.26
Rot. Bonds4

About 6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloro-N-methylpyridin-2-amine

6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloro-N-methylpyridin-2-amine (PubChem CID 55127793) has the molecular formula C13H11BrClFN2O and a molecular weight of 345.60 g/mol. Its IUPAC name is 6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloro-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloro-N-methylpyridin-2-amine
PubChem CID55127793
Molecular FormulaC13H11BrClFN2O
Molecular Weight345.60 g/mol
Exact Mass343.97
IUPAC Name6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloro-N-methylpyridin-2-amine
SMILESCNc1ccc(Cl)c(COc2ccc(Br)cc2F)n1
InChIInChI=1S/C13H11BrClFN2O/c1-17-13-5-3-9(15)11(18-13)7-19-12-4-2-8(14)6-10(12)16/h2-6H,7H2,1H3,(H,17,18)
InChIKeyOOGHGNUULCHBMX-UHFFFAOYSA-N
XLogP4.26
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.60
LogP ≤ 54.26
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-chloro-N-methylpyridin-2-amine?
The IUPAC name of 6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloro-N-methylpyridin-2-amine (CID 55127793) is 6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloro-N-methylpyridin-2-amine.
What is the SMILES notation for 6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloro-N-methylpyridin-2-amine?
The canonical SMILES for 6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloro-N-methylpyridin-2-amine is CNc1ccc(Cl)c(COc2ccc(Br)cc2F)n1.
What is the InChIKey of 6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloro-N-methylpyridin-2-amine?
The InChIKey is OOGHGNUULCHBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClFN2O/c1-17-13-5-3-9(15)11(18-13)7-19-12-4-2-8(14)6-10(12)16/h2-6H,7H2,1H3,(H,17,18).
What are the key properties of 6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloro-N-methylpyridin-2-amine?
6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloro-N-methylpyridin-2-amine has a molecular weight of 345.60 g/mol, XLogP of 4.26, 4 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-chloro-N-methylpyridin-2-amine is sourced from PubChem (CID 55127793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).