2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine

C19H13F6N3 — CID 11696916

IUPAC2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine
SMILESFC(F)(F)c1cccc(Nc2ccnc(Nc3cccc(C(F)(F)F)c3)c2)c1
InChIInChI=1S/C19H13F6N3/c20-18(21,22)12-3-1-5-14(9-12)27-16-7-8-26-17(11-16)28-15-6-2-4-13(10-15)19(23,24)25/h1-11H,(H2,26,27,28)
InChIKeyOMJPKBHPEZBRLI-UHFFFAOYSA-N
MW397.32 g/mol
LogP6.61
Rot. Bonds4

About 2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine

2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine (PubChem CID 11696916) has the molecular formula C19H13F6N3 and a molecular weight of 397.32 g/mol. Its IUPAC name is 2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine
PubChem CID11696916
Molecular FormulaC19H13F6N3
Molecular Weight397.32 g/mol
Exact Mass397.10
IUPAC Name2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine
SMILESFC(F)(F)c1cccc(Nc2ccnc(Nc3cccc(C(F)(F)F)c3)c2)c1
InChIInChI=1S/C19H13F6N3/c20-18(21,22)12-3-1-5-14(9-12)27-16-7-8-26-17(11-16)28-15-6-2-4-13(10-15)19(23,24)25/h1-11H,(H2,26,27,28)
InChIKeyOMJPKBHPEZBRLI-UHFFFAOYSA-N
XLogP6.61
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.32
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80927624
N-[3-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 10158076
2-anilino-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109176138
4-[[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzoic acid
CID 113192978
3-[[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzamide
CID 68969983
4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 68663950
1-N-methyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 117027255
2-N-cycloheptyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112899975
6-N-[3-(trifluoromethyl)phenyl]pyridine-2,3,6-triamine
CID 79823431
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109166817
N-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]aniline
CID 142703833
N-(2-phenylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109172217

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine (CID 11696916) is 2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine is FC(F)(F)c1cccc(Nc2ccnc(Nc3cccc(C(F)(F)F)c3)c2)c1.
What is the InChIKey of 2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine?
The InChIKey is OMJPKBHPEZBRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F6N3/c20-18(21,22)12-3-1-5-14(9-12)27-16-7-8-26-17(11-16)28-15-6-2-4-13(10-15)19(23,24)25/h1-11H,(H2,26,27,28).
What are the key properties of 2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine?
2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine has a molecular weight of 397.32 g/mol, XLogP of 6.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine is sourced from PubChem (CID 11696916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).