1-(5-bromo-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine

C13H11BrF3N3 — CID 102708381

IUPAC1-(5-bromo-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCNC(c1cncc(Br)c1)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H11BrF3N3/c1-18-12(8-4-9(14)6-20-5-8)10-7-19-3-2-11(10)13(15,16)17/h2-7,12,18H,1H3
InChIKeyOTMSPDBTEQDFLF-UHFFFAOYSA-N
MW346.15 g/mol
LogP3.57
Rot. Bonds3

About 1-(5-bromo-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine

1-(5-bromo-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 102708381) has the molecular formula C13H11BrF3N3 and a molecular weight of 346.15 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID102708381
Molecular FormulaC13H11BrF3N3
Molecular Weight346.15 g/mol
Exact Mass345.01
IUPAC Name1-(5-bromo-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCNC(c1cncc(Br)c1)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H11BrF3N3/c1-18-12(8-4-9(14)6-20-5-8)10-7-19-3-2-11(10)13(15,16)17/h2-7,12,18H,1H3
InChIKeyOTMSPDBTEQDFLF-UHFFFAOYSA-N
XLogP3.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.15
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(5-methyl-3-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709913
1-(5-fluoro-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709981
1-(4-bromo-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708596
1-[4-bromo-2-(trifluoromethyl)phenyl]-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 62688972
N-methyl-1-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708231
1-(5-bromo-3-pyridinyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482882
1-(2,6-dichlorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709752
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709911
1-(5-bromo-3-pyridinyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 43486642
2,2,2-trifluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 102709994
N-methyl-1-(4-methylthiophen-3-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708387
[(3-bromo-4-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710530

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine (CID 102708381) is 1-(5-bromo-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine is CNC(c1cncc(Br)c1)c1cnccc1C(F)(F)F.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is OTMSPDBTEQDFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF3N3/c1-18-12(8-4-9(14)6-20-5-8)10-7-19-3-2-11(10)13(15,16)17/h2-7,12,18H,1H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
1-(5-bromo-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 346.15 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 102708381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).