3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-phenylpyridin-2-amine

C19H16ClFN2O — CID 146185154

IUPAC3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-phenylpyridin-2-amine
SMILESCC(Oc1cc(-c2ccccc2)cnc1N)c1cc(F)ccc1Cl
InChIInChI=1S/C19H16ClFN2O/c1-12(16-10-15(21)7-8-17(16)20)24-18-9-14(11-23-19(18)22)13-5-3-2-4-6-13/h2-12H,1H3,(H2,22,23)
InChIKeyJEUYCARVAHECFG-UHFFFAOYSA-N
MW342.80 g/mol
LogP5.26
Rot. Bonds4

About 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-phenylpyridin-2-amine

3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-phenylpyridin-2-amine (PubChem CID 146185154) has the molecular formula C19H16ClFN2O and a molecular weight of 342.80 g/mol. Its IUPAC name is 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-phenylpyridin-2-amine.

Molecular Properties

Compound Name3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-phenylpyridin-2-amine
PubChem CID146185154
Molecular FormulaC19H16ClFN2O
Molecular Weight342.80 g/mol
Exact Mass342.09
IUPAC Name3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-phenylpyridin-2-amine
SMILESCC(Oc1cc(-c2ccccc2)cnc1N)c1cc(F)ccc1Cl
InChIInChI=1S/C19H16ClFN2O/c1-12(16-10-15(21)7-8-17(16)20)24-18-9-14(11-23-19(18)22)13-5-3-2-4-6-13/h2-12H,1H3,(H2,22,23)
InChIKeyJEUYCARVAHECFG-UHFFFAOYSA-N
XLogP5.26
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.80
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-phenylpyridin-2-amine?
The IUPAC name of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-phenylpyridin-2-amine (CID 146185154) is 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-phenylpyridin-2-amine.
What is the SMILES notation for 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-phenylpyridin-2-amine?
The canonical SMILES for 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-phenylpyridin-2-amine is CC(Oc1cc(-c2ccccc2)cnc1N)c1cc(F)ccc1Cl.
What is the InChIKey of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-phenylpyridin-2-amine?
The InChIKey is JEUYCARVAHECFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O/c1-12(16-10-15(21)7-8-17(16)20)24-18-9-14(11-23-19(18)22)13-5-3-2-4-6-13/h2-12H,1H3,(H2,22,23).
What are the key properties of 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-phenylpyridin-2-amine?
3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-phenylpyridin-2-amine has a molecular weight of 342.80 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chloro-5-fluorophenyl)ethoxy]-5-phenylpyridin-2-amine is sourced from PubChem (CID 146185154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).