2-N-ethyl-6-N-(3,4,5-trifluorophenyl)pyridine-2,6-diamine

C13H12F3N3 — CID 80824451

IUPAC2-N-ethyl-6-N-(3,4,5-trifluorophenyl)pyridine-2,6-diamine
SMILESCCNc1cccc(Nc2cc(F)c(F)c(F)c2)n1
InChIInChI=1S/C13H12F3N3/c1-2-17-11-4-3-5-12(19-11)18-8-6-9(14)13(16)10(15)7-8/h3-7H,2H2,1H3,(H2,17,18,19)
InChIKeyQHFPBZSCEUJKNX-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.67
Rot. Bonds4

About 2-N-ethyl-6-N-(3,4,5-trifluorophenyl)pyridine-2,6-diamine

2-N-ethyl-6-N-(3,4,5-trifluorophenyl)pyridine-2,6-diamine (PubChem CID 80824451) has the molecular formula C13H12F3N3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 2-N-ethyl-6-N-(3,4,5-trifluorophenyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-(3,4,5-trifluorophenyl)pyridine-2,6-diamine
PubChem CID80824451
Molecular FormulaC13H12F3N3
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC Name2-N-ethyl-6-N-(3,4,5-trifluorophenyl)pyridine-2,6-diamine
SMILESCCNc1cccc(Nc2cc(F)c(F)c(F)c2)n1
InChIInChI=1S/C13H12F3N3/c1-2-17-11-4-3-5-12(19-11)18-8-6-9(14)13(16)10(15)7-8/h3-7H,2H2,1H3,(H2,17,18,19)
InChIKeyQHFPBZSCEUJKNX-UHFFFAOYSA-N
XLogP3.67
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-N-(3-bromophenyl)-2-N-ethylpyridine-2,6-diamine
CID 80761080
6-N-(2,5-difluoro-4-methylphenyl)-2-N-ethylpyridine-2,6-diamine
CID 103587849
2-N-ethyl-6-N-(3-fluoro-2-methylphenyl)pyridine-2,6-diamine
CID 80814736
6-N-(3-bromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine
CID 82862442
6-N-[(3,4-difluorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine
CID 80805276
6-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-N-ethylpyridine-2,6-diamine
CID 80769194
6-N-[4-(difluoromethoxy)phenyl]-2-N-ethylpyridine-2,6-diamine
CID 80753539
2-N-ethyl-6-N-(4-fluoro-2-iodophenyl)pyridine-2,6-diamine
CID 80849440
6-N-propyl-2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine
CID 80825542
2-N-ethyl-6-N-(4-methylsulfonylphenyl)pyridine-2,6-diamine
CID 80762611
2-N-ethyl-6-N-(2-fluoroethyl)pyridine-2,6-diamine
CID 130505047
2-N-ethyl-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine
CID 80771478

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-(3,4,5-trifluorophenyl)pyridine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-(3,4,5-trifluorophenyl)pyridine-2,6-diamine (CID 80824451) is 2-N-ethyl-6-N-(3,4,5-trifluorophenyl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-(3,4,5-trifluorophenyl)pyridine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-(3,4,5-trifluorophenyl)pyridine-2,6-diamine is CCNc1cccc(Nc2cc(F)c(F)c(F)c2)n1.
What is the InChIKey of 2-N-ethyl-6-N-(3,4,5-trifluorophenyl)pyridine-2,6-diamine?
The InChIKey is QHFPBZSCEUJKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3/c1-2-17-11-4-3-5-12(19-11)18-8-6-9(14)13(16)10(15)7-8/h3-7H,2H2,1H3,(H2,17,18,19).
What are the key properties of 2-N-ethyl-6-N-(3,4,5-trifluorophenyl)pyridine-2,6-diamine?
2-N-ethyl-6-N-(3,4,5-trifluorophenyl)pyridine-2,6-diamine has a molecular weight of 267.25 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-(3,4,5-trifluorophenyl)pyridine-2,6-diamine is sourced from PubChem (CID 80824451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).