(1S)-1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine

C7H8BrFN2 — CID 122237447

IUPAC(1S)-1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine
SMILESC[C@H](N)c1ncc(F)cc1Br
InChIInChI=1S/C7H8BrFN2/c1-4(10)7-6(8)2-5(9)3-11-7/h2-4H,10H2,1H3/t4-/m0/s1
InChIKeyVSNNQOZQHGWCKR-BYPYZUCNSA-N
MW219.06 g/mol
LogP2.00
Rot. Bonds1

About (1S)-1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine

(1S)-1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine (PubChem CID 122237447) has the molecular formula C7H8BrFN2 and a molecular weight of 219.06 g/mol. Its IUPAC name is (1S)-1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine
PubChem CID122237447
Molecular FormulaC7H8BrFN2
Molecular Weight219.06 g/mol
Exact Mass217.99
IUPAC Name(1S)-1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine
SMILESC[C@H](N)c1ncc(F)cc1Br
InChIInChI=1S/C7H8BrFN2/c1-4(10)7-6(8)2-5(9)3-11-7/h2-4H,10H2,1H3/t4-/m0/s1
InChIKeyVSNNQOZQHGWCKR-BYPYZUCNSA-N
XLogP2.00
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.06
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine?
The IUPAC name of (1S)-1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine (CID 122237447) is (1S)-1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine.
What is the SMILES notation for (1S)-1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine?
The canonical SMILES for (1S)-1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine is C[C@H](N)c1ncc(F)cc1Br.
What is the InChIKey of (1S)-1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine?
The InChIKey is VSNNQOZQHGWCKR-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H8BrFN2/c1-4(10)7-6(8)2-5(9)3-11-7/h2-4H,10H2,1H3/t4-/m0/s1.
What are the key properties of (1S)-1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine?
(1S)-1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine has a molecular weight of 219.06 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-bromo-5-fluoro-2-pyridinyl)ethanamine is sourced from PubChem (CID 122237447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).