2-N-benzyl-6-(trifluoromethyl)pyridine-2,3-diamine

C13H12F3N3 — CID 90937044

IUPAC2-N-benzyl-6-(trifluoromethyl)pyridine-2,3-diamine
SMILESNc1ccc(C(F)(F)F)nc1NCc1ccccc1
InChIInChI=1S/C13H12F3N3/c14-13(15,16)11-7-6-10(17)12(19-11)18-8-9-4-2-1-3-5-9/h1-7H,8,17H2,(H,18,19)
InChIKeyYDJQIFFTBLYVTA-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.29
Rot. Bonds3

About 2-N-benzyl-6-(trifluoromethyl)pyridine-2,3-diamine

2-N-benzyl-6-(trifluoromethyl)pyridine-2,3-diamine (PubChem CID 90937044) has the molecular formula C13H12F3N3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 2-N-benzyl-6-(trifluoromethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-benzyl-6-(trifluoromethyl)pyridine-2,3-diamine
PubChem CID90937044
Molecular FormulaC13H12F3N3
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC Name2-N-benzyl-6-(trifluoromethyl)pyridine-2,3-diamine
SMILESNc1ccc(C(F)(F)F)nc1NCc1ccccc1
InChIInChI=1S/C13H12F3N3/c14-13(15,16)11-7-6-10(17)12(19-11)18-8-9-4-2-1-3-5-9/h1-7H,8,17H2,(H,18,19)
InChIKeyYDJQIFFTBLYVTA-UHFFFAOYSA-N
XLogP3.29
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876068
2-N-phenyl-6-(trifluoromethyl)pyridine-2,3-diamine
CID 70979281
3-(aminomethyl)-N-(pyridin-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 71503746
N-benzyl-3-iodo-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-amine;molecular hydrogen
CID 167648686
2-(pyridin-4-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 71503682
2-(benzylamino)-N-[(E,2S)-4-methylsulfonylbut-3-en-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 176931435
2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
CID 11372871
N-benzyl-5-(trifluoromethyl)-1H-1,2,4-triazol-3-amine
CID 121248464
2,6-bis(trifluoromethyl)pyridin-3-amine
CID 131531494
N-benzyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 155187420
N-benzyl-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720987
6-methyl-2-N-(pyridin-4-ylmethyl)pyridine-2,3-diamine
CID 79021830

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-6-(trifluoromethyl)pyridine-2,3-diamine?
The IUPAC name of 2-N-benzyl-6-(trifluoromethyl)pyridine-2,3-diamine (CID 90937044) is 2-N-benzyl-6-(trifluoromethyl)pyridine-2,3-diamine.
What is the SMILES notation for 2-N-benzyl-6-(trifluoromethyl)pyridine-2,3-diamine?
The canonical SMILES for 2-N-benzyl-6-(trifluoromethyl)pyridine-2,3-diamine is Nc1ccc(C(F)(F)F)nc1NCc1ccccc1.
What is the InChIKey of 2-N-benzyl-6-(trifluoromethyl)pyridine-2,3-diamine?
The InChIKey is YDJQIFFTBLYVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3/c14-13(15,16)11-7-6-10(17)12(19-11)18-8-9-4-2-1-3-5-9/h1-7H,8,17H2,(H,18,19).
What are the key properties of 2-N-benzyl-6-(trifluoromethyl)pyridine-2,3-diamine?
2-N-benzyl-6-(trifluoromethyl)pyridine-2,3-diamine has a molecular weight of 267.25 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-6-(trifluoromethyl)pyridine-2,3-diamine is sourced from PubChem (CID 90937044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).