(1R)-1-(5-bromo-3-fluoro-2-pyridinyl)-2,2,2-trifluoroethanamine

C7H5BrF4N2 — CID 131053112

IUPAC(1R)-1-(5-bromo-3-fluoro-2-pyridinyl)-2,2,2-trifluoroethanamine
SMILESN[C@H](c1ncc(Br)cc1F)C(F)(F)F
InChIInChI=1S/C7H5BrF4N2/c8-3-1-4(9)5(14-2-3)6(13)7(10,11)12/h1-2,6H,13H2/t6-/m1/s1
InChIKeyHABNQXJXYFMITP-ZCFIWIBFSA-N
MW273.03 g/mol
LogP2.55
Rot. Bonds1

About (1R)-1-(5-bromo-3-fluoro-2-pyridinyl)-2,2,2-trifluoroethanamine

(1R)-1-(5-bromo-3-fluoro-2-pyridinyl)-2,2,2-trifluoroethanamine (PubChem CID 131053112) has the molecular formula C7H5BrF4N2 and a molecular weight of 273.03 g/mol. Its IUPAC name is (1R)-1-(5-bromo-3-fluoro-2-pyridinyl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name(1R)-1-(5-bromo-3-fluoro-2-pyridinyl)-2,2,2-trifluoroethanamine
PubChem CID131053112
Molecular FormulaC7H5BrF4N2
Molecular Weight273.03 g/mol
Exact Mass271.96
IUPAC Name(1R)-1-(5-bromo-3-fluoro-2-pyridinyl)-2,2,2-trifluoroethanamine
SMILESN[C@H](c1ncc(Br)cc1F)C(F)(F)F
InChIInChI=1S/C7H5BrF4N2/c8-3-1-4(9)5(14-2-3)6(13)7(10,11)12/h1-2,6H,13H2/t6-/m1/s1
InChIKeyHABNQXJXYFMITP-ZCFIWIBFSA-N
XLogP2.55
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.03
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-1-(5-bromo-3-fluoro-2-pyridinyl)-2,2,2-trifluoroethanamine with MolForge

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Related Compounds

(2R)-2-amino-2-(5-bromo-3-fluoro-2-pyridinyl)ethanol
CID 131139047
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-5-bromo-3-fluorophenol
CID 66511972
(1R)-1-(5,6-difluoro-3-pyridinyl)-2,2,2-trifluoroethanamine
CID 130641095
5-bromo-2-(difluoromethyl)pyridin-3-amine
CID 130094563
(1S)-1-(2-bromo-4,5-difluorophenyl)-2,2,2-trifluoroethanamine
CID 66511938
2-(5-bromo-3-fluoro-2-pyridinyl)-2-cyclopropylacetic acid
CID 175669184
(3,5-dibromo-2-pyridinyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881964
3-amino-2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]propan-1-ol
CID 106796928
(3,5-dibromo-2-pyridinyl)-(3-fluorophenyl)methanamine
CID 113398572
(3,5-dibromo-2-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102755136
3-(5-bromo-3-methyl-2-pyridinyl)butan-2-amine
CID 79718137
5-bromo-3-fluoro-2-pyridin-4-ylpyridine
CID 177188592

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-bromo-3-fluoro-2-pyridinyl)-2,2,2-trifluoroethanamine?
The IUPAC name of (1R)-1-(5-bromo-3-fluoro-2-pyridinyl)-2,2,2-trifluoroethanamine (CID 131053112) is (1R)-1-(5-bromo-3-fluoro-2-pyridinyl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for (1R)-1-(5-bromo-3-fluoro-2-pyridinyl)-2,2,2-trifluoroethanamine?
The canonical SMILES for (1R)-1-(5-bromo-3-fluoro-2-pyridinyl)-2,2,2-trifluoroethanamine is N[C@H](c1ncc(Br)cc1F)C(F)(F)F.
What is the InChIKey of (1R)-1-(5-bromo-3-fluoro-2-pyridinyl)-2,2,2-trifluoroethanamine?
The InChIKey is HABNQXJXYFMITP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H5BrF4N2/c8-3-1-4(9)5(14-2-3)6(13)7(10,11)12/h1-2,6H,13H2/t6-/m1/s1.
What are the key properties of (1R)-1-(5-bromo-3-fluoro-2-pyridinyl)-2,2,2-trifluoroethanamine?
(1R)-1-(5-bromo-3-fluoro-2-pyridinyl)-2,2,2-trifluoroethanamine has a molecular weight of 273.03 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-bromo-3-fluoro-2-pyridinyl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 131053112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).