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

C12H10ClFN2O — CID 62885457

IUPAC5-chloro-6-[(2-fluorophenoxy)methyl]pyridin-2-amine
SMILESNc1ccc(Cl)c(COc2ccccc2F)n1
InChIInChI=1S/C12H10ClFN2O/c13-8-5-6-12(15)16-10(8)7-17-11-4-2-1-3-9(11)14/h1-6H,7H2,(H2,15,16)
InChIKeyQLMUCMYNPVINSA-UHFFFAOYSA-N
MW252.68 g/mol
LogP3.04
Rot. Bonds3

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

5-chloro-6-[(2-fluorophenoxy)methyl]pyridin-2-amine (PubChem CID 62885457) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is 5-chloro-6-[(2-fluorophenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(2-fluorophenoxy)methyl]pyridin-2-amine
PubChem CID62885457
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name5-chloro-6-[(2-fluorophenoxy)methyl]pyridin-2-amine
SMILESNc1ccc(Cl)c(COc2ccccc2F)n1
InChIInChI=1S/C12H10ClFN2O/c13-8-5-6-12(15)16-10(8)7-17-11-4-2-1-3-9(11)14/h1-6H,7H2,(H2,15,16)
InChIKeyQLMUCMYNPVINSA-UHFFFAOYSA-N
XLogP3.04
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 53.04
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-fluorophenoxy)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-6-[(2-fluorophenoxy)methyl]pyridin-2-amine (CID 62885457) is 5-chloro-6-[(2-fluorophenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(2-fluorophenoxy)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(2-fluorophenoxy)methyl]pyridin-2-amine is Nc1ccc(Cl)c(COc2ccccc2F)n1.
What is the InChIKey of 5-chloro-6-[(2-fluorophenoxy)methyl]pyridin-2-amine?
The InChIKey is QLMUCMYNPVINSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c13-8-5-6-12(15)16-10(8)7-17-11-4-2-1-3-9(11)14/h1-6H,7H2,(H2,15,16).
What are the key properties of 5-chloro-6-[(2-fluorophenoxy)methyl]pyridin-2-amine?
5-chloro-6-[(2-fluorophenoxy)methyl]pyridin-2-amine has a molecular weight of 252.68 g/mol, XLogP of 3.04, 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-fluorophenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 62885457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).