3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine

C19H14Cl2F2N2O — CID 21110796

IUPAC3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine
SMILESCC(Oc1cc(-c2ccc(F)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C19H14Cl2F2N2O/c1-10(17-14(20)6-7-15(23)18(17)21)26-16-8-12(9-25-19(16)24)11-2-4-13(22)5-3-11/h2-10H,1H3,(H2,24,25)
InChIKeyJHARIMMUWWVLAN-UHFFFAOYSA-N
MW395.24 g/mol
LogP6.06
Rot. Bonds4

About 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine

3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine (PubChem CID 21110796) has the molecular formula C19H14Cl2F2N2O and a molecular weight of 395.24 g/mol. Its IUPAC name is 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine
PubChem CID21110796
Molecular FormulaC19H14Cl2F2N2O
Molecular Weight395.24 g/mol
Exact Mass394.05
IUPAC Name3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine
SMILESCC(Oc1cc(-c2ccc(F)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C19H14Cl2F2N2O/c1-10(17-14(20)6-7-15(23)18(17)21)26-16-8-12(9-25-19(16)24)11-2-4-13(22)5-3-11/h2-10H,1H3,(H2,24,25)
InChIKeyJHARIMMUWWVLAN-UHFFFAOYSA-N
XLogP6.06
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.24
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine?
The IUPAC name of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine (CID 21110796) is 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine.
What is the SMILES notation for 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine?
The canonical SMILES for 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine is CC(Oc1cc(-c2ccc(F)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine?
The InChIKey is JHARIMMUWWVLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2F2N2O/c1-10(17-14(20)6-7-15(23)18(17)21)26-16-8-12(9-25-19(16)24)11-2-4-13(22)5-3-11/h2-10H,1H3,(H2,24,25).
What are the key properties of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine?
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine has a molecular weight of 395.24 g/mol, XLogP of 6.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine is sourced from PubChem (CID 21110796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).