6-N-[3-(trifluoromethyl)phenyl]pyridine-2,3,6-triamine

C12H11F3N4 — CID 79823431

IUPAC6-N-[3-(trifluoromethyl)phenyl]pyridine-2,3,6-triamine
SMILESNc1ccc(Nc2cccc(C(F)(F)F)c2)nc1N
InChIInChI=1S/C12H11F3N4/c13-12(14,15)7-2-1-3-8(6-7)18-10-5-4-9(16)11(17)19-10/h1-6H,16H2,(H3,17,18,19)
InChIKeyUYKRNEBVXRTQGB-UHFFFAOYSA-N
MW268.24 g/mol
LogP3.01
Rot. Bonds2

About 6-N-[3-(trifluoromethyl)phenyl]pyridine-2,3,6-triamine

6-N-[3-(trifluoromethyl)phenyl]pyridine-2,3,6-triamine (PubChem CID 79823431) has the molecular formula C12H11F3N4 and a molecular weight of 268.24 g/mol. Its IUPAC name is 6-N-[3-(trifluoromethyl)phenyl]pyridine-2,3,6-triamine.

Molecular Properties

Compound Name6-N-[3-(trifluoromethyl)phenyl]pyridine-2,3,6-triamine
PubChem CID79823431
Molecular FormulaC12H11F3N4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name6-N-[3-(trifluoromethyl)phenyl]pyridine-2,3,6-triamine
SMILESNc1ccc(Nc2cccc(C(F)(F)F)c2)nc1N
InChIInChI=1S/C12H11F3N4/c13-12(14,15)7-2-1-3-8(6-7)18-10-5-4-9(16)11(17)19-10/h1-6H,16H2,(H3,17,18,19)
InChIKeyUYKRNEBVXRTQGB-UHFFFAOYSA-N
XLogP3.01
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine
CID 79021968
2-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80927624
2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine
CID 11696916
2-N-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 3729763
2-[3-(trifluoromethyl)anilino]quinoline-7-carboxylic acid
CID 174186287
5-amino-6-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 114405030
2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 704906
2-methyl-6-N-(3-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112877048
6-N-(3-bromo-4-fluorophenyl)pyridine-2,3,6-triamine
CID 104775528
N-[3-(trifluoromethyl)phenyl]acridin-9-amine
CID 2790705
6-chloro-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80762662
6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid
CID 60790862

Frequently Asked Questions

What is the IUPAC name of 6-N-[3-(trifluoromethyl)phenyl]pyridine-2,3,6-triamine?
The IUPAC name of 6-N-[3-(trifluoromethyl)phenyl]pyridine-2,3,6-triamine (CID 79823431) is 6-N-[3-(trifluoromethyl)phenyl]pyridine-2,3,6-triamine.
What is the SMILES notation for 6-N-[3-(trifluoromethyl)phenyl]pyridine-2,3,6-triamine?
The canonical SMILES for 6-N-[3-(trifluoromethyl)phenyl]pyridine-2,3,6-triamine is Nc1ccc(Nc2cccc(C(F)(F)F)c2)nc1N.
What is the InChIKey of 6-N-[3-(trifluoromethyl)phenyl]pyridine-2,3,6-triamine?
The InChIKey is UYKRNEBVXRTQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4/c13-12(14,15)7-2-1-3-8(6-7)18-10-5-4-9(16)11(17)19-10/h1-6H,16H2,(H3,17,18,19).
What are the key properties of 6-N-[3-(trifluoromethyl)phenyl]pyridine-2,3,6-triamine?
6-N-[3-(trifluoromethyl)phenyl]pyridine-2,3,6-triamine has a molecular weight of 268.24 g/mol, XLogP of 3.01, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[3-(trifluoromethyl)phenyl]pyridine-2,3,6-triamine is sourced from PubChem (CID 79823431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).