4-fluoro-N,3-dimethyl-6-(trifluoromethyl)pyridin-2-amine;4-methylpyrrolidine-2-carbaldehyde

C14H19F4N3O — CID 156837589

IUPAC4-fluoro-N,3-dimethyl-6-(trifluoromethyl)pyridin-2-amine;4-methylpyrrolidine-2-carbaldehyde
SMILESCC1CNC(C=O)C1.CNc1nc(C(F)(F)F)cc(F)c1C
InChIInChI=1S/C8H8F4N2.C6H11NO/c1-4-5(9)3-6(8(10,11)12)14-7(4)13-2;1-5-2-6(4-8)7-3-5/h3H,1-2H3,(H,13,14);4-7H,2-3H2,1H3
InChIKeyAUDWNYSCVJTLAR-UHFFFAOYSA-N
MW321.32 g/mol
LogP2.77
Rot. Bonds2

About 4-fluoro-N,3-dimethyl-6-(trifluoromethyl)pyridin-2-amine;4-methylpyrrolidine-2-carbaldehyde

4-fluoro-N,3-dimethyl-6-(trifluoromethyl)pyridin-2-amine;4-methylpyrrolidine-2-carbaldehyde (PubChem CID 156837589) has the molecular formula C14H19F4N3O and a molecular weight of 321.32 g/mol. Its IUPAC name is 4-fluoro-N,3-dimethyl-6-(trifluoromethyl)pyridin-2-amine;4-methylpyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name4-fluoro-N,3-dimethyl-6-(trifluoromethyl)pyridin-2-amine;4-methylpyrrolidine-2-carbaldehyde
PubChem CID156837589
Molecular FormulaC14H19F4N3O
Molecular Weight321.32 g/mol
Exact Mass321.15
IUPAC Name4-fluoro-N,3-dimethyl-6-(trifluoromethyl)pyridin-2-amine;4-methylpyrrolidine-2-carbaldehyde
SMILESCC1CNC(C=O)C1.CNc1nc(C(F)(F)F)cc(F)c1C
InChIInChI=1S/C8H8F4N2.C6H11NO/c1-4-5(9)3-6(8(10,11)12)14-7(4)13-2;1-5-2-6(4-8)7-3-5/h3H,1-2H3,(H,13,14);4-7H,2-3H2,1H3
InChIKeyAUDWNYSCVJTLAR-UHFFFAOYSA-N
XLogP2.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,3,4-trimethyl-6-(trifluoromethyl)pyridin-2-amine
CID 146493978
4-(fluoromethyl)pyrrolidine-2-carbaldehyde;2-(methylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 156837618
2-N-methyl-4-N-(3-methylcyclobutyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565796
4-N-(3,5-dimethylcyclohexyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565264
2,3,4-trifluoro-6-(trifluoromethyl)pyridine
CID 46317997
2-N-methyl-4-N-(3-methylcyclopentyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114566037
N,2-dimethyl-6-(trifluoromethyl)pyridin-4-amine
CID 82404221
(E)-3-[2-(methylamino)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enoic acid
CID 70828247
2-N-methyl-4-N-(3-methylcyclohexyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564031
2-N-(4-fluoro-3,6-dimethyl-2-pyridinyl)-4-N,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 129149972
2-amino-4-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 130154054
4-methyl-N-pyrrolidin-3-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 82191941

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,3-dimethyl-6-(trifluoromethyl)pyridin-2-amine;4-methylpyrrolidine-2-carbaldehyde?
The IUPAC name of 4-fluoro-N,3-dimethyl-6-(trifluoromethyl)pyridin-2-amine;4-methylpyrrolidine-2-carbaldehyde (CID 156837589) is 4-fluoro-N,3-dimethyl-6-(trifluoromethyl)pyridin-2-amine;4-methylpyrrolidine-2-carbaldehyde.
What is the SMILES notation for 4-fluoro-N,3-dimethyl-6-(trifluoromethyl)pyridin-2-amine;4-methylpyrrolidine-2-carbaldehyde?
The canonical SMILES for 4-fluoro-N,3-dimethyl-6-(trifluoromethyl)pyridin-2-amine;4-methylpyrrolidine-2-carbaldehyde is CC1CNC(C=O)C1.CNc1nc(C(F)(F)F)cc(F)c1C.
What is the InChIKey of 4-fluoro-N,3-dimethyl-6-(trifluoromethyl)pyridin-2-amine;4-methylpyrrolidine-2-carbaldehyde?
The InChIKey is AUDWNYSCVJTLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4N2.C6H11NO/c1-4-5(9)3-6(8(10,11)12)14-7(4)13-2;1-5-2-6(4-8)7-3-5/h3H,1-2H3,(H,13,14);4-7H,2-3H2,1H3.
What are the key properties of 4-fluoro-N,3-dimethyl-6-(trifluoromethyl)pyridin-2-amine;4-methylpyrrolidine-2-carbaldehyde?
4-fluoro-N,3-dimethyl-6-(trifluoromethyl)pyridin-2-amine;4-methylpyrrolidine-2-carbaldehyde has a molecular weight of 321.32 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,3-dimethyl-6-(trifluoromethyl)pyridin-2-amine;4-methylpyrrolidine-2-carbaldehyde is sourced from PubChem (CID 156837589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).