(1R)-1-[4-bromo-4-(trifluoromethyl)-3H-pyridin-3-yl]ethanamine

C8H10BrF3N2 — CID 68537118

IUPAC(1R)-1-[4-bromo-4-(trifluoromethyl)-3H-pyridin-3-yl]ethanamine
SMILESC[C@@H](N)C1C=NC=CC1(Br)C(F)(F)F
InChIInChI=1S/C8H10BrF3N2/c1-5(13)6-4-14-3-2-7(6,9)8(10,11)12/h2-6H,13H2,1H3/t5-,6?,7?/m1/s1
InChIKeyKQNYMRGLKZSAPD-GRQBKTHUSA-N
MW271.08 g/mol
LogP2.24
Rot. Bonds1

About (1R)-1-[4-bromo-4-(trifluoromethyl)-3H-pyridin-3-yl]ethanamine

(1R)-1-[4-bromo-4-(trifluoromethyl)-3H-pyridin-3-yl]ethanamine (PubChem CID 68537118) has the molecular formula C8H10BrF3N2 and a molecular weight of 271.08 g/mol. Its IUPAC name is (1R)-1-[4-bromo-4-(trifluoromethyl)-3H-pyridin-3-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-bromo-4-(trifluoromethyl)-3H-pyridin-3-yl]ethanamine
PubChem CID68537118
Molecular FormulaC8H10BrF3N2
Molecular Weight271.08 g/mol
Exact Mass270.00
IUPAC Name(1R)-1-[4-bromo-4-(trifluoromethyl)-3H-pyridin-3-yl]ethanamine
SMILESC[C@@H](N)C1C=NC=CC1(Br)C(F)(F)F
InChIInChI=1S/C8H10BrF3N2/c1-5(13)6-4-14-3-2-7(6,9)8(10,11)12/h2-6H,13H2,1H3/t5-,6?,7?/m1/s1
InChIKeyKQNYMRGLKZSAPD-GRQBKTHUSA-N
XLogP2.24
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.08
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-bromo-4-(trifluoromethyl)-3H-pyridin-3-yl]ethanamine?
The IUPAC name of (1R)-1-[4-bromo-4-(trifluoromethyl)-3H-pyridin-3-yl]ethanamine (CID 68537118) is (1R)-1-[4-bromo-4-(trifluoromethyl)-3H-pyridin-3-yl]ethanamine.
What is the SMILES notation for (1R)-1-[4-bromo-4-(trifluoromethyl)-3H-pyridin-3-yl]ethanamine?
The canonical SMILES for (1R)-1-[4-bromo-4-(trifluoromethyl)-3H-pyridin-3-yl]ethanamine is C[C@@H](N)C1C=NC=CC1(Br)C(F)(F)F.
What is the InChIKey of (1R)-1-[4-bromo-4-(trifluoromethyl)-3H-pyridin-3-yl]ethanamine?
The InChIKey is KQNYMRGLKZSAPD-GRQBKTHUSA-N. The full InChI is InChI=1S/C8H10BrF3N2/c1-5(13)6-4-14-3-2-7(6,9)8(10,11)12/h2-6H,13H2,1H3/t5-,6?,7?/m1/s1.
What are the key properties of (1R)-1-[4-bromo-4-(trifluoromethyl)-3H-pyridin-3-yl]ethanamine?
(1R)-1-[4-bromo-4-(trifluoromethyl)-3H-pyridin-3-yl]ethanamine has a molecular weight of 271.08 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-bromo-4-(trifluoromethyl)-3H-pyridin-3-yl]ethanamine is sourced from PubChem (CID 68537118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).