2,5-bis[3-(trifluoromethoxy)phenyl]pyridin-4-amine

C19H12F6N2O2 — CID 118828810

IUPAC2,5-bis[3-(trifluoromethoxy)phenyl]pyridin-4-amine
SMILESNc1cc(-c2cccc(OC(F)(F)F)c2)ncc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C19H12F6N2O2/c20-18(21,22)28-13-5-1-3-11(7-13)15-10-27-17(9-16(15)26)12-4-2-6-14(8-12)29-19(23,24)25/h1-10H,(H2,26,27)
InChIKeyZMDXWRSXMIYTTC-UHFFFAOYSA-N
MW414.31 g/mol
LogP5.80
Rot. Bonds4

About 2,5-bis[3-(trifluoromethoxy)phenyl]pyridin-4-amine

2,5-bis[3-(trifluoromethoxy)phenyl]pyridin-4-amine (PubChem CID 118828810) has the molecular formula C19H12F6N2O2 and a molecular weight of 414.31 g/mol. Its IUPAC name is 2,5-bis[3-(trifluoromethoxy)phenyl]pyridin-4-amine.

Molecular Properties

Compound Name2,5-bis[3-(trifluoromethoxy)phenyl]pyridin-4-amine
PubChem CID118828810
Molecular FormulaC19H12F6N2O2
Molecular Weight414.31 g/mol
Exact Mass414.08
IUPAC Name2,5-bis[3-(trifluoromethoxy)phenyl]pyridin-4-amine
SMILESNc1cc(-c2cccc(OC(F)(F)F)c2)ncc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C19H12F6N2O2/c20-18(21,22)28-13-5-1-3-11(7-13)15-10-27-17(9-16(15)26)12-4-2-6-14(8-12)29-19(23,24)25/h1-10H,(H2,26,27)
InChIKeyZMDXWRSXMIYTTC-UHFFFAOYSA-N
XLogP5.80
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.31
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2,5-bis[3-(trifluoromethoxy)phenyl]pyridine-4-carboxylate
CID 134634030
5-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 22326853
2-fluoro-3-[3-(trifluoromethoxy)phenyl]aniline
CID 134624108
6-methoxy-5-[3-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 133086740
3-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline
CID 134624116
2-methyl-3-[3-(trifluoromethoxy)phenyl]aniline
CID 107626546
2,4-dimethyl-5-[3-(trifluoromethoxy)phenyl]pyrimidine
CID 119023762
2-methyl-4-[3-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 133086749
[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 24729919
[5-amino-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 133086826
4-methyl-2,6-bis[3-(trifluoromethoxy)phenyl]aniline
CID 23628482
5-[3-(trifluoromethoxy)phenyl]-1,3-oxazol-2-amine
CID 121231645

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[3-(trifluoromethoxy)phenyl]pyridin-4-amine?
The IUPAC name of 2,5-bis[3-(trifluoromethoxy)phenyl]pyridin-4-amine (CID 118828810) is 2,5-bis[3-(trifluoromethoxy)phenyl]pyridin-4-amine.
What is the SMILES notation for 2,5-bis[3-(trifluoromethoxy)phenyl]pyridin-4-amine?
The canonical SMILES for 2,5-bis[3-(trifluoromethoxy)phenyl]pyridin-4-amine is Nc1cc(-c2cccc(OC(F)(F)F)c2)ncc1-c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2,5-bis[3-(trifluoromethoxy)phenyl]pyridin-4-amine?
The InChIKey is ZMDXWRSXMIYTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F6N2O2/c20-18(21,22)28-13-5-1-3-11(7-13)15-10-27-17(9-16(15)26)12-4-2-6-14(8-12)29-19(23,24)25/h1-10H,(H2,26,27).
What are the key properties of 2,5-bis[3-(trifluoromethoxy)phenyl]pyridin-4-amine?
2,5-bis[3-(trifluoromethoxy)phenyl]pyridin-4-amine has a molecular weight of 414.31 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[3-(trifluoromethoxy)phenyl]pyridin-4-amine is sourced from PubChem (CID 118828810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).