5-chloro-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine

C17H11ClF3N3O — CID 46834097

IUPAC5-chloro-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
SMILESFC(F)(F)c1cccnc1Oc1ccc(Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C17H11ClF3N3O/c18-11-3-8-15(23-10-11)24-12-4-6-13(7-5-12)25-16-14(17(19,20)21)2-1-9-22-16/h1-10H,(H,23,24)
InChIKeyOMTROKRCCUUCNC-UHFFFAOYSA-N
MW365.74 g/mol
LogP5.68
Rot. Bonds4

About 5-chloro-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine

5-chloro-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine (PubChem CID 46834097) has the molecular formula C17H11ClF3N3O and a molecular weight of 365.74 g/mol. Its IUPAC name is 5-chloro-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
PubChem CID46834097
Molecular FormulaC17H11ClF3N3O
Molecular Weight365.74 g/mol
Exact Mass365.05
IUPAC Name5-chloro-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
SMILESFC(F)(F)c1cccnc1Oc1ccc(Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C17H11ClF3N3O/c18-11-3-8-15(23-10-11)24-12-4-6-13(7-5-12)25-16-14(17(19,20)21)2-1-9-22-16/h1-10H,(H,23,24)
InChIKeyOMTROKRCCUUCNC-UHFFFAOYSA-N
XLogP5.68
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.74
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine (CID 46834097) is 5-chloro-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine is FC(F)(F)c1cccnc1Oc1ccc(Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of 5-chloro-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
The InChIKey is OMTROKRCCUUCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3N3O/c18-11-3-8-15(23-10-11)24-12-4-6-13(7-5-12)25-16-14(17(19,20)21)2-1-9-22-16/h1-10H,(H,23,24).
What are the key properties of 5-chloro-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
5-chloro-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine has a molecular weight of 365.74 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine is sourced from PubChem (CID 46834097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).