N-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridin-3-amine

C18H13F3N2 — CID 90753067

IUPACN-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridin-3-amine
SMILESFC(F)(F)c1ccccc1-c1cccc(Nc2cccnc2)c1
InChIInChI=1S/C18H13F3N2/c19-18(20,21)17-9-2-1-8-16(17)13-5-3-6-14(11-13)23-15-7-4-10-22-12-15/h1-12,23H
InChIKeyPZZAEIQPOPQROJ-UHFFFAOYSA-N
MW314.31 g/mol
LogP5.51
Rot. Bonds3

About N-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridin-3-amine

N-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridin-3-amine (PubChem CID 90753067) has the molecular formula C18H13F3N2 and a molecular weight of 314.31 g/mol. Its IUPAC name is N-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridin-3-amine
PubChem CID90753067
Molecular FormulaC18H13F3N2
Molecular Weight314.31 g/mol
Exact Mass314.10
IUPAC NameN-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridin-3-amine
SMILESFC(F)(F)c1ccccc1-c1cccc(Nc2cccnc2)c1
InChIInChI=1S/C18H13F3N2/c19-18(20,21)17-9-2-1-8-16(17)13-5-3-6-14(11-13)23-15-7-4-10-22-12-15/h1-12,23H
InChIKeyPZZAEIQPOPQROJ-UHFFFAOYSA-N
XLogP5.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.31
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridin-3-amine?
The IUPAC name of N-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridin-3-amine (CID 90753067) is N-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridin-3-amine.
What is the SMILES notation for N-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridin-3-amine?
The canonical SMILES for N-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridin-3-amine is FC(F)(F)c1ccccc1-c1cccc(Nc2cccnc2)c1.
What is the InChIKey of N-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridin-3-amine?
The InChIKey is PZZAEIQPOPQROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2/c19-18(20,21)17-9-2-1-8-16(17)13-5-3-6-14(11-13)23-15-7-4-10-22-12-15/h1-12,23H.
What are the key properties of N-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridin-3-amine?
N-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridin-3-amine has a molecular weight of 314.31 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridin-3-amine is sourced from PubChem (CID 90753067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).