6-(5-fluoro-3-pyridinyl)-N,N-dimethyl-2-(trifluoromethyl)pyridin-3-amine

C13H11F4N3 — CID 130453759

IUPAC6-(5-fluoro-3-pyridinyl)-N,N-dimethyl-2-(trifluoromethyl)pyridin-3-amine
SMILESCN(C)c1ccc(-c2cncc(F)c2)nc1C(F)(F)F
InChIInChI=1S/C13H11F4N3/c1-20(2)11-4-3-10(19-12(11)13(15,16)17)8-5-9(14)7-18-6-8/h3-7H,1-2H3
InChIKeyWJXCCIKEUITCCL-UHFFFAOYSA-N
MW285.24 g/mol
LogP3.37
Rot. Bonds2

About 6-(5-fluoro-3-pyridinyl)-N,N-dimethyl-2-(trifluoromethyl)pyridin-3-amine

6-(5-fluoro-3-pyridinyl)-N,N-dimethyl-2-(trifluoromethyl)pyridin-3-amine (PubChem CID 130453759) has the molecular formula C13H11F4N3 and a molecular weight of 285.24 g/mol. Its IUPAC name is 6-(5-fluoro-3-pyridinyl)-N,N-dimethyl-2-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name6-(5-fluoro-3-pyridinyl)-N,N-dimethyl-2-(trifluoromethyl)pyridin-3-amine
PubChem CID130453759
Molecular FormulaC13H11F4N3
Molecular Weight285.24 g/mol
Exact Mass285.09
IUPAC Name6-(5-fluoro-3-pyridinyl)-N,N-dimethyl-2-(trifluoromethyl)pyridin-3-amine
SMILESCN(C)c1ccc(-c2cncc(F)c2)nc1C(F)(F)F
InChIInChI=1S/C13H11F4N3/c1-20(2)11-4-3-10(19-12(11)13(15,16)17)8-5-9(14)7-18-6-8/h3-7H,1-2H3
InChIKeyWJXCCIKEUITCCL-UHFFFAOYSA-N
XLogP3.37
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-3-methyl-N-(3-methylbut-2-enoyl)but-2-enamide
CID 130473224
N-[2-(dimethylamino)-2-oxoethyl]-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide
CID 130473130
tert-butyl N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-N-methylcarbamate;3-ethyl-6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)pyridine
CID 158238408
N-(cyanomethyl)-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide
CID 130472987
(2,4-difluorophenyl)methyl-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]carbamic acid
CID 166726351
(E)-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]but-2-enamide
CID 130472969
2-chloro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide
CID 130473225
3,3,3-trifluoro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide
CID 130473001
1-(2,2-dimethylpropyl)-3-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]urea
CID 130471303
N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]benzamide
CID 130472965
2-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]morpholine
CID 175128084
3-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-5-methyl-1,3,5-oxadiazinan-4-one
CID 130453696

Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-3-pyridinyl)-N,N-dimethyl-2-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 6-(5-fluoro-3-pyridinyl)-N,N-dimethyl-2-(trifluoromethyl)pyridin-3-amine (CID 130453759) is 6-(5-fluoro-3-pyridinyl)-N,N-dimethyl-2-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 6-(5-fluoro-3-pyridinyl)-N,N-dimethyl-2-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 6-(5-fluoro-3-pyridinyl)-N,N-dimethyl-2-(trifluoromethyl)pyridin-3-amine is CN(C)c1ccc(-c2cncc(F)c2)nc1C(F)(F)F.
What is the InChIKey of 6-(5-fluoro-3-pyridinyl)-N,N-dimethyl-2-(trifluoromethyl)pyridin-3-amine?
The InChIKey is WJXCCIKEUITCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4N3/c1-20(2)11-4-3-10(19-12(11)13(15,16)17)8-5-9(14)7-18-6-8/h3-7H,1-2H3.
What are the key properties of 6-(5-fluoro-3-pyridinyl)-N,N-dimethyl-2-(trifluoromethyl)pyridin-3-amine?
6-(5-fluoro-3-pyridinyl)-N,N-dimethyl-2-(trifluoromethyl)pyridin-3-amine has a molecular weight of 285.24 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-3-pyridinyl)-N,N-dimethyl-2-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 130453759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).