5-(2,4-difluorophenyl)-3-[3-(trifluoromethyl)phenyl]pyridin-2-amine

C18H11F5N2 — CID 155544170

IUPAC5-(2,4-difluorophenyl)-3-[3-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESNc1ncc(-c2ccc(F)cc2F)cc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H11F5N2/c19-13-4-5-14(16(20)8-13)11-7-15(17(24)25-9-11)10-2-1-3-12(6-10)18(21,22)23/h1-9H,(H2,24,25)
InChIKeyDTHMWMMJSGUAPH-UHFFFAOYSA-N
MW350.29 g/mol
LogP5.29
Rot. Bonds2

About 5-(2,4-difluorophenyl)-3-[3-(trifluoromethyl)phenyl]pyridin-2-amine

5-(2,4-difluorophenyl)-3-[3-(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 155544170) has the molecular formula C18H11F5N2 and a molecular weight of 350.29 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-3-[3-(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-3-[3-(trifluoromethyl)phenyl]pyridin-2-amine
PubChem CID155544170
Molecular FormulaC18H11F5N2
Molecular Weight350.29 g/mol
Exact Mass350.08
IUPAC Name5-(2,4-difluorophenyl)-3-[3-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESNc1ncc(-c2ccc(F)cc2F)cc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H11F5N2/c19-13-4-5-14(16(20)8-13)11-7-15(17(24)25-9-11)10-2-1-3-12(6-10)18(21,22)23/h1-9H,(H2,24,25)
InChIKeyDTHMWMMJSGUAPH-UHFFFAOYSA-N
XLogP5.29
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.29
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-3-[3-(trifluoromethyl)phenyl]pyridin-2-amine?
The IUPAC name of 5-(2,4-difluorophenyl)-3-[3-(trifluoromethyl)phenyl]pyridin-2-amine (CID 155544170) is 5-(2,4-difluorophenyl)-3-[3-(trifluoromethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 5-(2,4-difluorophenyl)-3-[3-(trifluoromethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 5-(2,4-difluorophenyl)-3-[3-(trifluoromethyl)phenyl]pyridin-2-amine is Nc1ncc(-c2ccc(F)cc2F)cc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-(2,4-difluorophenyl)-3-[3-(trifluoromethyl)phenyl]pyridin-2-amine?
The InChIKey is DTHMWMMJSGUAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F5N2/c19-13-4-5-14(16(20)8-13)11-7-15(17(24)25-9-11)10-2-1-3-12(6-10)18(21,22)23/h1-9H,(H2,24,25).
What are the key properties of 5-(2,4-difluorophenyl)-3-[3-(trifluoromethyl)phenyl]pyridin-2-amine?
5-(2,4-difluorophenyl)-3-[3-(trifluoromethyl)phenyl]pyridin-2-amine has a molecular weight of 350.29 g/mol, XLogP of 5.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-3-[3-(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 155544170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).