N-methyl-1-[5-(trifluoromethyl)-3-pyridinyl]methanamine

C8H9F3N2 — CID 15477317

IUPACN-methyl-1-[5-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCNCc1cncc(C(F)(F)F)c1
InChIInChI=1S/C8H9F3N2/c1-12-3-6-2-7(5-13-4-6)8(9,10)11/h2,4-5,12H,3H2,1H3
InChIKeyVGMWDLVTVGODJL-UHFFFAOYSA-N
MW190.17 g/mol
LogP1.82
Rot. Bonds2

About N-methyl-1-[5-(trifluoromethyl)-3-pyridinyl]methanamine

N-methyl-1-[5-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 15477317) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is N-methyl-1-[5-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID15477317
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC NameN-methyl-1-[5-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCNCc1cncc(C(F)(F)F)c1
InChIInChI=1S/C8H9F3N2/c1-12-3-6-2-7(5-13-4-6)8(9,10)11/h2,4-5,12H,3H2,1H3
InChIKeyVGMWDLVTVGODJL-UHFFFAOYSA-N
XLogP1.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[5-(trifluoromethyl)-3-pyridinyl]methanamine (CID 15477317) is N-methyl-1-[5-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[5-(trifluoromethyl)-3-pyridinyl]methanamine is CNCc1cncc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-1-[5-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is VGMWDLVTVGODJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2/c1-12-3-6-2-7(5-13-4-6)8(9,10)11/h2,4-5,12H,3H2,1H3.
What are the key properties of N-methyl-1-[5-(trifluoromethyl)-3-pyridinyl]methanamine?
N-methyl-1-[5-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 190.17 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 15477317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).