1-(5-bromo-3-pyridinyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine

C10H9BrF6N2 — CID 103312277

IUPAC1-(5-bromo-3-pyridinyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
SMILESNC(Cc1cncc(Br)c1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H9BrF6N2/c11-6-1-5(3-19-4-6)2-7(18)8(9(12,13)14)10(15,16)17/h1,3-4,7-8H,2,18H2
InChIKeyYBYWNWJLQOUASY-UHFFFAOYSA-N
MW351.09 g/mol
LogP3.45
Rot. Bonds3

About 1-(5-bromo-3-pyridinyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine

1-(5-bromo-3-pyridinyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine (PubChem CID 103312277) has the molecular formula C10H9BrF6N2 and a molecular weight of 351.09 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
PubChem CID103312277
Molecular FormulaC10H9BrF6N2
Molecular Weight351.09 g/mol
Exact Mass349.99
IUPAC Name1-(5-bromo-3-pyridinyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
SMILESNC(Cc1cncc(Br)c1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H9BrF6N2/c11-6-1-5(3-19-4-6)2-7(18)8(9(12,13)14)10(15,16)17/h1,3-4,7-8H,2,18H2
InChIKeyYBYWNWJLQOUASY-UHFFFAOYSA-N
XLogP3.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.09
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol
CID 104800052
1-(5-bromo-3-pyridinyl)-3-ethylpentan-2-amine
CID 105036917
2-(5-bromo-3-pyridinyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethanamine
CID 104801818
2-amino-3-(5-bromo-3-pyridinyl)propan-1-ol
CID 115649533
4-(5-bromo-3-pyridinyl)-3-fluoro-2-methylbutan-2-amine
CID 130589548
1-(5-bromo-3-pyridinyl)-3-methoxypentan-2-amine
CID 116715292
1-(5-bromo-3-pyridinyl)-3-ethoxy-4-methylpentan-2-amine
CID 116721000
2-(5-bromo-3-pyridinyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105036929
1-(3-bromo-5-fluorophenyl)-2-(5-bromo-3-pyridinyl)ethanamine
CID 104802830
2-(5-bromo-3-pyridinyl)-1-(3-fluoro-4-pyridinyl)ethanamine
CID 113455102
2-(5-bromo-3-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105036649
1-(5-bromo-3-pyridinyl)propan-2-ylhydrazine
CID 105201192

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine (CID 103312277) is 1-(5-bromo-3-pyridinyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine is NC(Cc1cncc(Br)c1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine?
The InChIKey is YBYWNWJLQOUASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF6N2/c11-6-1-5(3-19-4-6)2-7(18)8(9(12,13)14)10(15,16)17/h1,3-4,7-8H,2,18H2.
What are the key properties of 1-(5-bromo-3-pyridinyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine?
1-(5-bromo-3-pyridinyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine has a molecular weight of 351.09 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine is sourced from PubChem (CID 103312277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).