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

C12H9Cl2FN2O — CID 55127504

IUPAC5-chloro-6-[(2-chloro-4-fluorophenoxy)methyl]pyridin-2-amine
SMILESNc1ccc(Cl)c(COc2ccc(F)cc2Cl)n1
InChIInChI=1S/C12H9Cl2FN2O/c13-8-2-4-12(16)17-10(8)6-18-11-3-1-7(15)5-9(11)14/h1-5H,6H2,(H2,16,17)
InChIKeyUBNWKEVOUQTTQF-UHFFFAOYSA-N
MW287.12 g/mol
LogP3.69
Rot. Bonds3

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

5-chloro-6-[(2-chloro-4-fluorophenoxy)methyl]pyridin-2-amine (PubChem CID 55127504) has the molecular formula C12H9Cl2FN2O and a molecular weight of 287.12 g/mol. Its IUPAC name is 5-chloro-6-[(2-chloro-4-fluorophenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(2-chloro-4-fluorophenoxy)methyl]pyridin-2-amine
PubChem CID55127504
Molecular FormulaC12H9Cl2FN2O
Molecular Weight287.12 g/mol
Exact Mass286.01
IUPAC Name5-chloro-6-[(2-chloro-4-fluorophenoxy)methyl]pyridin-2-amine
SMILESNc1ccc(Cl)c(COc2ccc(F)cc2Cl)n1
InChIInChI=1S/C12H9Cl2FN2O/c13-8-2-4-12(16)17-10(8)6-18-11-3-1-7(15)5-9(11)14/h1-5H,6H2,(H2,16,17)
InChIKeyUBNWKEVOUQTTQF-UHFFFAOYSA-N
XLogP3.69
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.12
LogP ≤ 53.69
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-chloro-4-fluorophenoxy)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-6-[(2-chloro-4-fluorophenoxy)methyl]pyridin-2-amine (CID 55127504) is 5-chloro-6-[(2-chloro-4-fluorophenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(2-chloro-4-fluorophenoxy)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(2-chloro-4-fluorophenoxy)methyl]pyridin-2-amine is Nc1ccc(Cl)c(COc2ccc(F)cc2Cl)n1.
What is the InChIKey of 5-chloro-6-[(2-chloro-4-fluorophenoxy)methyl]pyridin-2-amine?
The InChIKey is UBNWKEVOUQTTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN2O/c13-8-2-4-12(16)17-10(8)6-18-11-3-1-7(15)5-9(11)14/h1-5H,6H2,(H2,16,17).
What are the key properties of 5-chloro-6-[(2-chloro-4-fluorophenoxy)methyl]pyridin-2-amine?
5-chloro-6-[(2-chloro-4-fluorophenoxy)methyl]pyridin-2-amine has a molecular weight of 287.12 g/mol, XLogP of 3.69, 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-chloro-4-fluorophenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 55127504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).