3,4-dihydro-2H-pyran-6-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine

C12H13F3N2O — CID 102648928

IUPAC3,4-dihydro-2H-pyran-6-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESNC(C1=CCCCO1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)8-4-5-9(17-7-8)11(16)10-3-1-2-6-18-10/h3-5,7,11H,1-2,6,16H2
InChIKeyNXVOJRNMUPTVIO-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.79
Rot. Bonds2

About 3,4-dihydro-2H-pyran-6-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine

3,4-dihydro-2H-pyran-6-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine (PubChem CID 102648928) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine
PubChem CID102648928
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name3,4-dihydro-2H-pyran-6-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESNC(C1=CCCCO1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)8-4-5-9(17-7-8)11(16)10-3-1-2-6-18-10/h3-5,7,11H,1-2,6,16H2
InChIKeyNXVOJRNMUPTVIO-UHFFFAOYSA-N
XLogP2.79
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105180243
4,4,4-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
CID 105156496
bis[5-(trifluoromethyl)-2-pyridinyl]methanol
CID 170433737
2-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 130094479
[cyclohepten-1-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
CID 106650233
(3,4-dichlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105077091
(3,4-dimethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105140396
(3-chloro-2-pyridinyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 103443841
(2-ethylpyrazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105148490
2-cyclopropyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 112693374
[2-cyclopentyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]hydrazine
CID 105299053
(2-propylpyrazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105148214

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine (CID 102648928) is 3,4-dihydro-2H-pyran-6-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine is NC(C1=CCCCO1)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
The InChIKey is NXVOJRNMUPTVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c13-12(14,15)8-4-5-9(17-7-8)11(16)10-3-1-2-6-18-10/h3-5,7,11H,1-2,6,16H2.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
3,4-dihydro-2H-pyran-6-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine has a molecular weight of 258.24 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 102648928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).