3-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethoxy]pyridin-2-amine

C14H11Cl2F3N2O — CID 141099209

IUPAC3-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethoxy]pyridin-2-amine
SMILESCC(Oc1cccnc1N)c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H11Cl2F3N2O/c1-7(22-11-3-2-4-21-13(11)20)12-9(15)5-8(6-10(12)16)14(17,18)19/h2-7H,1H3,(H2,20,21)
InChIKeyVSYDJNAYCOXPCR-UHFFFAOYSA-N
MW351.16 g/mol
LogP5.13
Rot. Bonds3

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

3-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethoxy]pyridin-2-amine (PubChem CID 141099209) has the molecular formula C14H11Cl2F3N2O and a molecular weight of 351.16 g/mol. Its IUPAC name is 3-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethoxy]pyridin-2-amine.

Molecular Properties

Compound Name3-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethoxy]pyridin-2-amine
PubChem CID141099209
Molecular FormulaC14H11Cl2F3N2O
Molecular Weight351.16 g/mol
Exact Mass350.02
IUPAC Name3-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethoxy]pyridin-2-amine
SMILESCC(Oc1cccnc1N)c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H11Cl2F3N2O/c1-7(22-11-3-2-4-21-13(11)20)12-9(15)5-8(6-10(12)16)14(17,18)19/h2-7H,1H3,(H2,20,21)
InChIKeyVSYDJNAYCOXPCR-UHFFFAOYSA-N
XLogP5.13
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.16
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethoxy]pyridin-2-amine?
The IUPAC name of 3-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethoxy]pyridin-2-amine (CID 141099209) is 3-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethoxy]pyridin-2-amine.
What is the SMILES notation for 3-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethoxy]pyridin-2-amine?
The canonical SMILES for 3-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethoxy]pyridin-2-amine is CC(Oc1cccnc1N)c1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethoxy]pyridin-2-amine?
The InChIKey is VSYDJNAYCOXPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F3N2O/c1-7(22-11-3-2-4-21-13(11)20)12-9(15)5-8(6-10(12)16)14(17,18)19/h2-7H,1H3,(H2,20,21).
What are the key properties of 3-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethoxy]pyridin-2-amine?
3-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethoxy]pyridin-2-amine has a molecular weight of 351.16 g/mol, XLogP of 5.13, 3 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-4-(trifluoromethyl)phenyl]ethoxy]pyridin-2-amine is sourced from PubChem (CID 141099209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).