6-(4-chloro-3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine

C15H16ClFN2O2 — CID 82717738

IUPAC6-(4-chloro-3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
SMILESCC(C)(C)Oc1nc(Oc2ccc(Cl)c(F)c2)ccc1N
InChIInChI=1S/C15H16ClFN2O2/c1-15(2,3)21-14-12(18)6-7-13(19-14)20-9-4-5-10(16)11(17)8-9/h4-8H,18H2,1-3H3
InChIKeyFROFBLXLFPXFEQ-UHFFFAOYSA-N
MW310.76 g/mol
LogP4.43
Rot. Bonds3

About 6-(4-chloro-3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine

6-(4-chloro-3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine (PubChem CID 82717738) has the molecular formula C15H16ClFN2O2 and a molecular weight of 310.76 g/mol. Its IUPAC name is 6-(4-chloro-3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine.

Molecular Properties

Compound Name6-(4-chloro-3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
PubChem CID82717738
Molecular FormulaC15H16ClFN2O2
Molecular Weight310.76 g/mol
Exact Mass310.09
IUPAC Name6-(4-chloro-3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
SMILESCC(C)(C)Oc1nc(Oc2ccc(Cl)c(F)c2)ccc1N
InChIInChI=1S/C15H16ClFN2O2/c1-15(2,3)21-14-12(18)6-7-13(19-14)20-9-4-5-10(16)11(17)8-9/h4-8H,18H2,1-3H3
InChIKeyFROFBLXLFPXFEQ-UHFFFAOYSA-N
XLogP4.43
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine?
The IUPAC name of 6-(4-chloro-3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine (CID 82717738) is 6-(4-chloro-3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine.
What is the SMILES notation for 6-(4-chloro-3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine?
The canonical SMILES for 6-(4-chloro-3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine is CC(C)(C)Oc1nc(Oc2ccc(Cl)c(F)c2)ccc1N.
What is the InChIKey of 6-(4-chloro-3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine?
The InChIKey is FROFBLXLFPXFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O2/c1-15(2,3)21-14-12(18)6-7-13(19-14)20-9-4-5-10(16)11(17)8-9/h4-8H,18H2,1-3H3.
What are the key properties of 6-(4-chloro-3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine?
6-(4-chloro-3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine has a molecular weight of 310.76 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine is sourced from PubChem (CID 82717738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).