1-(5-bromo-2-pyridinyl)-5,5,5-trifluoropentan-2-amine

C10H12BrF3N2 — CID 104803305

IUPAC1-(5-bromo-2-pyridinyl)-5,5,5-trifluoropentan-2-amine
SMILESNC(CCC(F)(F)F)Cc1ccc(Br)cn1
InChIInChI=1S/C10H12BrF3N2/c11-7-1-2-9(16-6-7)5-8(15)3-4-10(12,13)14/h1-2,6,8H,3-5,15H2
InChIKeyDNUJIHMDDVMIPZ-UHFFFAOYSA-N
MW297.12 g/mol
LogP3.06
Rot. Bonds4

About 1-(5-bromo-2-pyridinyl)-5,5,5-trifluoropentan-2-amine

1-(5-bromo-2-pyridinyl)-5,5,5-trifluoropentan-2-amine (PubChem CID 104803305) has the molecular formula C10H12BrF3N2 and a molecular weight of 297.12 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-5,5,5-trifluoropentan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-5,5,5-trifluoropentan-2-amine
PubChem CID104803305
Molecular FormulaC10H12BrF3N2
Molecular Weight297.12 g/mol
Exact Mass296.01
IUPAC Name1-(5-bromo-2-pyridinyl)-5,5,5-trifluoropentan-2-amine
SMILESNC(CCC(F)(F)F)Cc1ccc(Br)cn1
InChIInChI=1S/C10H12BrF3N2/c11-7-1-2-9(16-6-7)5-8(15)3-4-10(12,13)14/h1-2,6,8H,3-5,15H2
InChIKeyDNUJIHMDDVMIPZ-UHFFFAOYSA-N
XLogP3.06
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.12
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-pyridinyl)-4-methoxybutan-2-amine
CID 104801563
1-(5-bromo-2-pyridinyl)-5-methoxypentan-2-amine
CID 104802296
(2S)-3-(5-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-ol
CID 104800606
5-bromo-2-(10,10,10-trifluorodecyl)pyridine
CID 151052015
1-(5-bromo-2-pyridinyl)-3-pyridin-4-ylpropan-2-amine
CID 104801802
1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-amine
CID 113454867
1-(5-bromo-2-pyridinyl)-4-(furan-2-yl)butan-2-amine
CID 105180938
1-(5-bromo-2-pyridinyl)-3-phenoxypropan-2-amine
CID 104801822
N-[(5-bromo-2-pyridinyl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
CID 115622453
3-(5-bromo-2-pyridinyl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 105036466
1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 104801901
1-(5-bromo-2-pyridinyl)-3-ethyl-3-methoxypentan-2-amine
CID 116760732

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-5,5,5-trifluoropentan-2-amine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-5,5,5-trifluoropentan-2-amine (CID 104803305) is 1-(5-bromo-2-pyridinyl)-5,5,5-trifluoropentan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-5,5,5-trifluoropentan-2-amine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-5,5,5-trifluoropentan-2-amine is NC(CCC(F)(F)F)Cc1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-5,5,5-trifluoropentan-2-amine?
The InChIKey is DNUJIHMDDVMIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF3N2/c11-7-1-2-9(16-6-7)5-8(15)3-4-10(12,13)14/h1-2,6,8H,3-5,15H2.
What are the key properties of 1-(5-bromo-2-pyridinyl)-5,5,5-trifluoropentan-2-amine?
1-(5-bromo-2-pyridinyl)-5,5,5-trifluoropentan-2-amine has a molecular weight of 297.12 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-5,5,5-trifluoropentan-2-amine is sourced from PubChem (CID 104803305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).