N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]butan-2-imine

C11H13F3N2 — CID 153345928

IUPACN-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]butan-2-imine
SMILESCC/C(C)=N/c1ccc(C(F)(F)F)nc1C
InChIInChI=1S/C11H13F3N2/c1-4-7(2)15-9-5-6-10(11(12,13)14)16-8(9)3/h5-6H,4H2,1-3H3/b15-7+
InChIKeyVZHMHHIQGKQIGS-VIZOYTHASA-N
MW230.23 g/mol
LogP3.91
Rot. Bonds2

About N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]butan-2-imine

N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]butan-2-imine (PubChem CID 153345928) has the molecular formula C11H13F3N2 and a molecular weight of 230.23 g/mol. Its IUPAC name is N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]butan-2-imine.

Molecular Properties

Compound NameN-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]butan-2-imine
PubChem CID153345928
Molecular FormulaC11H13F3N2
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC NameN-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]butan-2-imine
SMILESCC/C(C)=N/c1ccc(C(F)(F)F)nc1C
InChIInChI=1S/C11H13F3N2/c1-4-7(2)15-9-5-6-10(11(12,13)14)16-8(9)3/h5-6H,4H2,1-3H3/b15-7+
InChIKeyVZHMHHIQGKQIGS-VIZOYTHASA-N
XLogP3.91
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,6-Lutidine
CID 7937
6,6'-Bi-2-picoline
CID 20445
2,6-Dimethyl-3-nitropyridine
CID 84958
6-Ethyl-2-picoline
CID 14287
2-Fluoro-6-(trifluoromethyl)pyridine
CID 2736501
6-Methyl-2-pyridinecarbothioamide
CID 2784964
2,6-Dimethyl-3-pyridylamine
CID 76964
Methyl(6-methyl-2-pyridylmethyl)amine
CID 81438
(6-Methylpyridin-2-yl)methanamine
CID 246721
2-Ethenyl-6-methylpyridine
CID 70735
2-Fluoro-6-methylpyridine
CID 96090
2,6-Bis(trifluoromethyl)pyridine
CID 589864

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]butan-2-imine?
The IUPAC name of N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]butan-2-imine (CID 153345928) is N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]butan-2-imine.
What is the SMILES notation for N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]butan-2-imine?
The canonical SMILES for N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]butan-2-imine is CC/C(C)=N/c1ccc(C(F)(F)F)nc1C.
What is the InChIKey of N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]butan-2-imine?
The InChIKey is VZHMHHIQGKQIGS-VIZOYTHASA-N. The full InChI is InChI=1S/C11H13F3N2/c1-4-7(2)15-9-5-6-10(11(12,13)14)16-8(9)3/h5-6H,4H2,1-3H3/b15-7+.
What are the key properties of N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]butan-2-imine?
N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]butan-2-imine has a molecular weight of 230.23 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]butan-2-imine is sourced from PubChem (CID 153345928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).