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

C18H13F4N3O — CID 46834368

IUPAC5-fluoro-3-methyl-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
SMILESCc1cc(F)cnc1Nc1ccc(Oc2ncccc2C(F)(F)F)cc1
InChIInChI=1S/C18H13F4N3O/c1-11-9-12(19)10-24-16(11)25-13-4-6-14(7-5-13)26-17-15(18(20,21)22)3-2-8-23-17/h2-10H,1H3,(H,24,25)
InChIKeyQJQUYSADPAQACR-UHFFFAOYSA-N
MW363.31 g/mol
LogP5.48
Rot. Bonds4

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

5-fluoro-3-methyl-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine (PubChem CID 46834368) has the molecular formula C18H13F4N3O and a molecular weight of 363.31 g/mol. Its IUPAC name is 5-fluoro-3-methyl-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-3-methyl-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
PubChem CID46834368
Molecular FormulaC18H13F4N3O
Molecular Weight363.31 g/mol
Exact Mass363.10
IUPAC Name5-fluoro-3-methyl-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
SMILESCc1cc(F)cnc1Nc1ccc(Oc2ncccc2C(F)(F)F)cc1
InChIInChI=1S/C18H13F4N3O/c1-11-9-12(19)10-24-16(11)25-13-4-6-14(7-5-13)26-17-15(18(20,21)22)3-2-8-23-17/h2-10H,1H3,(H,24,25)
InChIKeyQJQUYSADPAQACR-UHFFFAOYSA-N
XLogP5.48
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.31
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
The IUPAC name of 5-fluoro-3-methyl-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine (CID 46834368) is 5-fluoro-3-methyl-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine.
What is the SMILES notation for 5-fluoro-3-methyl-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
The canonical SMILES for 5-fluoro-3-methyl-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine is Cc1cc(F)cnc1Nc1ccc(Oc2ncccc2C(F)(F)F)cc1.
What is the InChIKey of 5-fluoro-3-methyl-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
The InChIKey is QJQUYSADPAQACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N3O/c1-11-9-12(19)10-24-16(11)25-13-4-6-14(7-5-13)26-17-15(18(20,21)22)3-2-8-23-17/h2-10H,1H3,(H,24,25).
What are the key properties of 5-fluoro-3-methyl-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
5-fluoro-3-methyl-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine has a molecular weight of 363.31 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-N-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine is sourced from PubChem (CID 46834368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).