5-chloro-6-[(2,5-difluorophenoxy)methyl]pyridin-2-amine

C12H9ClF2N2O — CID 55169086

IUPAC5-chloro-6-[(2,5-difluorophenoxy)methyl]pyridin-2-amine
SMILESNc1ccc(Cl)c(COc2cc(F)ccc2F)n1
InChIInChI=1S/C12H9ClF2N2O/c13-8-2-4-12(16)17-10(8)6-18-11-5-7(14)1-3-9(11)15/h1-5H,6H2,(H2,16,17)
InChIKeyRNSIXIMGNZUSOS-UHFFFAOYSA-N
MW270.67 g/mol
LogP3.17
Rot. Bonds3

About 5-chloro-6-[(2,5-difluorophenoxy)methyl]pyridin-2-amine

5-chloro-6-[(2,5-difluorophenoxy)methyl]pyridin-2-amine (PubChem CID 55169086) has the molecular formula C12H9ClF2N2O and a molecular weight of 270.67 g/mol. Its IUPAC name is 5-chloro-6-[(2,5-difluorophenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(2,5-difluorophenoxy)methyl]pyridin-2-amine
PubChem CID55169086
Molecular FormulaC12H9ClF2N2O
Molecular Weight270.67 g/mol
Exact Mass270.04
IUPAC Name5-chloro-6-[(2,5-difluorophenoxy)methyl]pyridin-2-amine
SMILESNc1ccc(Cl)c(COc2cc(F)ccc2F)n1
InChIInChI=1S/C12H9ClF2N2O/c13-8-2-4-12(16)17-10(8)6-18-11-5-7(14)1-3-9(11)15/h1-5H,6H2,(H2,16,17)
InChIKeyRNSIXIMGNZUSOS-UHFFFAOYSA-N
XLogP3.17
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.67
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(2,5-difluorophenoxy)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-6-[(2,5-difluorophenoxy)methyl]pyridin-2-amine (CID 55169086) is 5-chloro-6-[(2,5-difluorophenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(2,5-difluorophenoxy)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(2,5-difluorophenoxy)methyl]pyridin-2-amine is Nc1ccc(Cl)c(COc2cc(F)ccc2F)n1.
What is the InChIKey of 5-chloro-6-[(2,5-difluorophenoxy)methyl]pyridin-2-amine?
The InChIKey is RNSIXIMGNZUSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N2O/c13-8-2-4-12(16)17-10(8)6-18-11-5-7(14)1-3-9(11)15/h1-5H,6H2,(H2,16,17).
What are the key properties of 5-chloro-6-[(2,5-difluorophenoxy)methyl]pyridin-2-amine?
5-chloro-6-[(2,5-difluorophenoxy)methyl]pyridin-2-amine has a molecular weight of 270.67 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(2,5-difluorophenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 55169086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).