3-(5-bromo-2-pyridinyl)-1,1,1-trifluoro-N-methylpropan-2-amine

C9H10BrF3N2 — CID 105036466

IUPAC3-(5-bromo-2-pyridinyl)-1,1,1-trifluoro-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(Br)cn1)C(F)(F)F
InChIInChI=1S/C9H10BrF3N2/c1-14-8(9(11,12)13)4-7-3-2-6(10)5-15-7/h2-3,5,8,14H,4H2,1H3
InChIKeyYFLAJRRCFOCGOR-UHFFFAOYSA-N
MW283.09 g/mol
LogP2.54
Rot. Bonds3

About 3-(5-bromo-2-pyridinyl)-1,1,1-trifluoro-N-methylpropan-2-amine

3-(5-bromo-2-pyridinyl)-1,1,1-trifluoro-N-methylpropan-2-amine (PubChem CID 105036466) has the molecular formula C9H10BrF3N2 and a molecular weight of 283.09 g/mol. Its IUPAC name is 3-(5-bromo-2-pyridinyl)-1,1,1-trifluoro-N-methylpropan-2-amine.

Molecular Properties

Compound Name3-(5-bromo-2-pyridinyl)-1,1,1-trifluoro-N-methylpropan-2-amine
PubChem CID105036466
Molecular FormulaC9H10BrF3N2
Molecular Weight283.09 g/mol
Exact Mass282.00
IUPAC Name3-(5-bromo-2-pyridinyl)-1,1,1-trifluoro-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(Br)cn1)C(F)(F)F
InChIInChI=1S/C9H10BrF3N2/c1-14-8(9(11,12)13)4-7-3-2-6(10)5-15-7/h2-3,5,8,14H,4H2,1H3
InChIKeyYFLAJRRCFOCGOR-UHFFFAOYSA-N
XLogP2.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.09
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-N-methyl-3-(5-methyl-2-pyridinyl)propan-2-amine
CID 66446543
1-(5-bromo-2-pyridinyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine
CID 104802873
1-(5-bromo-2-pyridinyl)-N,3-dimethyl-3-methylsulfonylbutan-2-amine
CID 105036270
(2S)-3-(5-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-ol
CID 104800606
[1-(5-bromo-2-pyridinyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245333
1-(5-bromo-2-pyridinyl)-N-ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312276
1,2-bis(5-bromo-2-pyridinyl)-N-methylethanamine
CID 104804023
[1-(5-bromo-2-pyridinyl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine
CID 105334662
1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 63200943
2-(5-bromo-2-pyridinyl)-1-(3,4-difluorophenyl)-N-methylethanamine
CID 104801261
1-(5-bromo-2-pyridinyl)-5,5,5-trifluoropentan-2-amine
CID 104803305
3-(5-bromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 104810436

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-pyridinyl)-1,1,1-trifluoro-N-methylpropan-2-amine?
The IUPAC name of 3-(5-bromo-2-pyridinyl)-1,1,1-trifluoro-N-methylpropan-2-amine (CID 105036466) is 3-(5-bromo-2-pyridinyl)-1,1,1-trifluoro-N-methylpropan-2-amine.
What is the SMILES notation for 3-(5-bromo-2-pyridinyl)-1,1,1-trifluoro-N-methylpropan-2-amine?
The canonical SMILES for 3-(5-bromo-2-pyridinyl)-1,1,1-trifluoro-N-methylpropan-2-amine is CNC(Cc1ccc(Br)cn1)C(F)(F)F.
What is the InChIKey of 3-(5-bromo-2-pyridinyl)-1,1,1-trifluoro-N-methylpropan-2-amine?
The InChIKey is YFLAJRRCFOCGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF3N2/c1-14-8(9(11,12)13)4-7-3-2-6(10)5-15-7/h2-3,5,8,14H,4H2,1H3.
What are the key properties of 3-(5-bromo-2-pyridinyl)-1,1,1-trifluoro-N-methylpropan-2-amine?
3-(5-bromo-2-pyridinyl)-1,1,1-trifluoro-N-methylpropan-2-amine has a molecular weight of 283.09 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-pyridinyl)-1,1,1-trifluoro-N-methylpropan-2-amine is sourced from PubChem (CID 105036466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).