6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-(4-fluorophenyl)-2-methylpyridin-3-amine

C19H13ClF4N2O — CID 58153412

IUPAC6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-(4-fluorophenyl)-2-methylpyridin-3-amine
SMILESCc1nc(Oc2ccc(Cl)c(C(F)(F)F)c2)c(-c2ccc(F)cc2)cc1N
InChIInChI=1S/C19H13ClF4N2O/c1-10-17(25)9-14(11-2-4-12(21)5-3-11)18(26-10)27-13-6-7-16(20)15(8-13)19(22,23)24/h2-9H,25H2,1H3
InChIKeyPVFCESYWQOXHJZ-UHFFFAOYSA-N
MW396.77 g/mol
LogP6.24
Rot. Bonds3

About 6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-(4-fluorophenyl)-2-methylpyridin-3-amine

6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-(4-fluorophenyl)-2-methylpyridin-3-amine (PubChem CID 58153412) has the molecular formula C19H13ClF4N2O and a molecular weight of 396.77 g/mol. Its IUPAC name is 6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-(4-fluorophenyl)-2-methylpyridin-3-amine.

Molecular Properties

Compound Name6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-(4-fluorophenyl)-2-methylpyridin-3-amine
PubChem CID58153412
Molecular FormulaC19H13ClF4N2O
Molecular Weight396.77 g/mol
Exact Mass396.07
IUPAC Name6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-(4-fluorophenyl)-2-methylpyridin-3-amine
SMILESCc1nc(Oc2ccc(Cl)c(C(F)(F)F)c2)c(-c2ccc(F)cc2)cc1N
InChIInChI=1S/C19H13ClF4N2O/c1-10-17(25)9-14(11-2-4-12(21)5-3-11)18(26-10)27-13-6-7-16(20)15(8-13)19(22,23)24/h2-9H,25H2,1H3
InChIKeyPVFCESYWQOXHJZ-UHFFFAOYSA-N
XLogP6.24
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.77
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-(4-fluorophenyl)-2-methylpyridin-3-amine?
The IUPAC name of 6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-(4-fluorophenyl)-2-methylpyridin-3-amine (CID 58153412) is 6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-(4-fluorophenyl)-2-methylpyridin-3-amine.
What is the SMILES notation for 6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-(4-fluorophenyl)-2-methylpyridin-3-amine?
The canonical SMILES for 6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-(4-fluorophenyl)-2-methylpyridin-3-amine is Cc1nc(Oc2ccc(Cl)c(C(F)(F)F)c2)c(-c2ccc(F)cc2)cc1N.
What is the InChIKey of 6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-(4-fluorophenyl)-2-methylpyridin-3-amine?
The InChIKey is PVFCESYWQOXHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF4N2O/c1-10-17(25)9-14(11-2-4-12(21)5-3-11)18(26-10)27-13-6-7-16(20)15(8-13)19(22,23)24/h2-9H,25H2,1H3.
What are the key properties of 6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-(4-fluorophenyl)-2-methylpyridin-3-amine?
6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-(4-fluorophenyl)-2-methylpyridin-3-amine has a molecular weight of 396.77 g/mol, XLogP of 6.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-(4-fluorophenyl)-2-methylpyridin-3-amine is sourced from PubChem (CID 58153412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).