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

C13H12ClFN2O — CID 55127217

IUPAC5-chloro-6-[(4-fluorophenoxy)methyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(Cl)c(COc2ccc(F)cc2)n1
InChIInChI=1S/C13H12ClFN2O/c1-16-13-7-6-11(14)12(17-13)8-18-10-4-2-9(15)3-5-10/h2-7H,8H2,1H3,(H,16,17)
InChIKeyDANUCGCAVQJJPR-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.49
Rot. Bonds4

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

5-chloro-6-[(4-fluorophenoxy)methyl]-N-methylpyridin-2-amine (PubChem CID 55127217) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 5-chloro-6-[(4-fluorophenoxy)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(4-fluorophenoxy)methyl]-N-methylpyridin-2-amine
PubChem CID55127217
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name5-chloro-6-[(4-fluorophenoxy)methyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(Cl)c(COc2ccc(F)cc2)n1
InChIInChI=1S/C13H12ClFN2O/c1-16-13-7-6-11(14)12(17-13)8-18-10-4-2-9(15)3-5-10/h2-7H,8H2,1H3,(H,16,17)
InChIKeyDANUCGCAVQJJPR-UHFFFAOYSA-N
XLogP3.49
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(4-fluorophenoxy)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-chloro-6-[(4-fluorophenoxy)methyl]-N-methylpyridin-2-amine (CID 55127217) is 5-chloro-6-[(4-fluorophenoxy)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(4-fluorophenoxy)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(4-fluorophenoxy)methyl]-N-methylpyridin-2-amine is CNc1ccc(Cl)c(COc2ccc(F)cc2)n1.
What is the InChIKey of 5-chloro-6-[(4-fluorophenoxy)methyl]-N-methylpyridin-2-amine?
The InChIKey is DANUCGCAVQJJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-16-13-7-6-11(14)12(17-13)8-18-10-4-2-9(15)3-5-10/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of 5-chloro-6-[(4-fluorophenoxy)methyl]-N-methylpyridin-2-amine?
5-chloro-6-[(4-fluorophenoxy)methyl]-N-methylpyridin-2-amine has a molecular weight of 266.70 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(4-fluorophenoxy)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 55127217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).