1-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]propan-2-amine

C9H10BrF3N2 — CID 175968743

IUPAC1-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]propan-2-amine
SMILESCC(N)Cc1cc(C(F)(F)F)ncc1Br
InChIInChI=1S/C9H10BrF3N2/c1-5(14)2-6-3-8(9(11,12)13)15-4-7(6)10/h3-5H,2,14H2,1H3
InChIKeySRLDJNDVMFYIBH-UHFFFAOYSA-N
MW283.09 g/mol
LogP2.75
Rot. Bonds2

About 1-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]propan-2-amine

1-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]propan-2-amine (PubChem CID 175968743) has the molecular formula C9H10BrF3N2 and a molecular weight of 283.09 g/mol. Its IUPAC name is 1-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]propan-2-amine
PubChem CID175968743
Molecular FormulaC9H10BrF3N2
Molecular Weight283.09 g/mol
Exact Mass282.00
IUPAC Name1-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]propan-2-amine
SMILESCC(N)Cc1cc(C(F)(F)F)ncc1Br
InChIInChI=1S/C9H10BrF3N2/c1-5(14)2-6-3-8(9(11,12)13)15-4-7(6)10/h3-5H,2,14H2,1H3
InChIKeySRLDJNDVMFYIBH-UHFFFAOYSA-N
XLogP2.75
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.09
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 133097921
4-methyl-5-(2-methylpropyl)-2-(trifluoromethyl)pyridine
CID 177015926
4-bromo-5-methyl-2-(trifluoromethyl)pyridine
CID 91757612
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
4-bromo-5-(chloromethyl)-2-(trifluoromethyl)pyridine
CID 130893901
1-(2,5-dibromophenyl)propan-2-amine
CID 84739331
ethyl 2-[4-bromo-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 133097919
(1S)-1-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]-2,2,2-trifluoroethanol
CID 97114288
methyl 2-[4-bromo-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 133097930
(2R)-1-(2-bromo-5-iodophenyl)propan-2-amine
CID 130617491
(2R)-1-(3-bromo-2-fluorophenyl)propan-2-amine
CID 130682344
N-[(5-bromo-2-tert-butyl-4-pyridinyl)methyl]-2,2,2-trifluoroethanamine
CID 155579981

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]propan-2-amine?
The IUPAC name of 1-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]propan-2-amine (CID 175968743) is 1-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]propan-2-amine is CC(N)Cc1cc(C(F)(F)F)ncc1Br.
What is the InChIKey of 1-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]propan-2-amine?
The InChIKey is SRLDJNDVMFYIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF3N2/c1-5(14)2-6-3-8(9(11,12)13)15-4-7(6)10/h3-5H,2,14H2,1H3.
What are the key properties of 1-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]propan-2-amine?
1-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]propan-2-amine has a molecular weight of 283.09 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]propan-2-amine is sourced from PubChem (CID 175968743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).