6-(trifluoromethyl)-2,4-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine

C20H11F9N2 — CID 134624265

IUPAC6-(trifluoromethyl)-2,4-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine
SMILESNc1c(-c2ccccc2C(F)(F)F)cc(C(F)(F)F)nc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C20H11F9N2/c21-18(22,23)13-7-3-1-5-10(13)12-9-15(20(27,28)29)31-17(16(12)30)11-6-2-4-8-14(11)19(24,25)26/h1-9H,30H2
InChIKeyLUXSNFRUYXBXDA-UHFFFAOYSA-N
MW450.30 g/mol
LogP7.05
Rot. Bonds2

About 6-(trifluoromethyl)-2,4-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine

6-(trifluoromethyl)-2,4-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine (PubChem CID 134624265) has the molecular formula C20H11F9N2 and a molecular weight of 450.30 g/mol. Its IUPAC name is 6-(trifluoromethyl)-2,4-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine.

Molecular Properties

Compound Name6-(trifluoromethyl)-2,4-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine
PubChem CID134624265
Molecular FormulaC20H11F9N2
Molecular Weight450.30 g/mol
Exact Mass450.08
IUPAC Name6-(trifluoromethyl)-2,4-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine
SMILESNc1c(-c2ccccc2C(F)(F)F)cc(C(F)(F)F)nc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C20H11F9N2/c21-18(22,23)13-7-3-1-5-10(13)12-9-15(20(27,28)29)31-17(16(12)30)11-6-2-4-8-14(11)19(24,25)26/h1-9H,30H2
InChIKeyLUXSNFRUYXBXDA-UHFFFAOYSA-N
XLogP7.05
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.30
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
2,4-bis(2,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine
CID 133086465
6-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 23311136
3-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 69026601
2,3,5-trifluoro-6-[2-(trifluoromethyl)phenyl]pyridine
CID 118848870
2-chloro-6-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine
CID 119019124
2,5-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine
CID 134624057
4-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 50994110
2,4-bis(2,4,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine
CID 134624047
3-[2,8-bis(trifluoromethyl)quinolin-4-yl]aniline
CID 16728100
2-(difluoromethoxy)-6-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine
CID 118854023
3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 87519172

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-2,4-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine?
The IUPAC name of 6-(trifluoromethyl)-2,4-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine (CID 134624265) is 6-(trifluoromethyl)-2,4-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine.
What is the SMILES notation for 6-(trifluoromethyl)-2,4-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine?
The canonical SMILES for 6-(trifluoromethyl)-2,4-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine is Nc1c(-c2ccccc2C(F)(F)F)cc(C(F)(F)F)nc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 6-(trifluoromethyl)-2,4-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine?
The InChIKey is LUXSNFRUYXBXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F9N2/c21-18(22,23)13-7-3-1-5-10(13)12-9-15(20(27,28)29)31-17(16(12)30)11-6-2-4-8-14(11)19(24,25)26/h1-9H,30H2.
What are the key properties of 6-(trifluoromethyl)-2,4-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine?
6-(trifluoromethyl)-2,4-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine has a molecular weight of 450.30 g/mol, XLogP of 7.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-2,4-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine is sourced from PubChem (CID 134624265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).