5-chloro-6-[(3-fluorophenoxy)methyl]pyridin-2-amine

C12H10ClFN2O — CID 55127314

IUPAC5-chloro-6-[(3-fluorophenoxy)methyl]pyridin-2-amine
SMILESNc1ccc(Cl)c(COc2cccc(F)c2)n1
InChIInChI=1S/C12H10ClFN2O/c13-10-4-5-12(15)16-11(10)7-17-9-3-1-2-8(14)6-9/h1-6H,7H2,(H2,15,16)
InChIKeyIOLJBTUPBKLEIH-UHFFFAOYSA-N
MW252.68 g/mol
LogP3.04
Rot. Bonds3

About 5-chloro-6-[(3-fluorophenoxy)methyl]pyridin-2-amine

5-chloro-6-[(3-fluorophenoxy)methyl]pyridin-2-amine (PubChem CID 55127314) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is 5-chloro-6-[(3-fluorophenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(3-fluorophenoxy)methyl]pyridin-2-amine
PubChem CID55127314
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name5-chloro-6-[(3-fluorophenoxy)methyl]pyridin-2-amine
SMILESNc1ccc(Cl)c(COc2cccc(F)c2)n1
InChIInChI=1S/C12H10ClFN2O/c13-10-4-5-12(15)16-11(10)7-17-9-3-1-2-8(14)6-9/h1-6H,7H2,(H2,15,16)
InChIKeyIOLJBTUPBKLEIH-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-[(3-fluorophenoxy)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-6-[(3-fluorophenoxy)methyl]pyridin-2-amine (CID 55127314) is 5-chloro-6-[(3-fluorophenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(3-fluorophenoxy)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(3-fluorophenoxy)methyl]pyridin-2-amine is Nc1ccc(Cl)c(COc2cccc(F)c2)n1.
What is the InChIKey of 5-chloro-6-[(3-fluorophenoxy)methyl]pyridin-2-amine?
The InChIKey is IOLJBTUPBKLEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c13-10-4-5-12(15)16-11(10)7-17-9-3-1-2-8(14)6-9/h1-6H,7H2,(H2,15,16).
What are the key properties of 5-chloro-6-[(3-fluorophenoxy)methyl]pyridin-2-amine?
5-chloro-6-[(3-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-[(3-fluorophenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 55127314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).