(3R)-3-amino-3-(5-bromo-3-fluoro-2-pyridinyl)butanoic acid

C9H10BrFN2O2 — CID 131538063

IUPAC(3R)-3-amino-3-(5-bromo-3-fluoro-2-pyridinyl)butanoic acid
SMILESC[C@@](N)(CC(=O)O)c1ncc(Br)cc1F
InChIInChI=1S/C9H10BrFN2O2/c1-9(12,3-7(14)15)8-6(11)2-5(10)4-13-8/h2,4H,3,12H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyWWTDHPHIZMYVKN-SECBINFHSA-N
MW277.09 g/mol
LogP1.63
Rot. Bonds3

About (3R)-3-amino-3-(5-bromo-3-fluoro-2-pyridinyl)butanoic acid

(3R)-3-amino-3-(5-bromo-3-fluoro-2-pyridinyl)butanoic acid (PubChem CID 131538063) has the molecular formula C9H10BrFN2O2 and a molecular weight of 277.09 g/mol. Its IUPAC name is (3R)-3-amino-3-(5-bromo-3-fluoro-2-pyridinyl)butanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-3-(5-bromo-3-fluoro-2-pyridinyl)butanoic acid
PubChem CID131538063
Molecular FormulaC9H10BrFN2O2
Molecular Weight277.09 g/mol
Exact Mass275.99
IUPAC Name(3R)-3-amino-3-(5-bromo-3-fluoro-2-pyridinyl)butanoic acid
SMILESC[C@@](N)(CC(=O)O)c1ncc(Br)cc1F
InChIInChI=1S/C9H10BrFN2O2/c1-9(12,3-7(14)15)8-6(11)2-5(10)4-13-8/h2,4H,3,12H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyWWTDHPHIZMYVKN-SECBINFHSA-N
XLogP1.63
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.09
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(5-bromo-3-fluoro-2-pyridinyl)butanoic acid?
The IUPAC name of (3R)-3-amino-3-(5-bromo-3-fluoro-2-pyridinyl)butanoic acid (CID 131538063) is (3R)-3-amino-3-(5-bromo-3-fluoro-2-pyridinyl)butanoic acid.
What is the SMILES notation for (3R)-3-amino-3-(5-bromo-3-fluoro-2-pyridinyl)butanoic acid?
The canonical SMILES for (3R)-3-amino-3-(5-bromo-3-fluoro-2-pyridinyl)butanoic acid is C[C@@](N)(CC(=O)O)c1ncc(Br)cc1F.
What is the InChIKey of (3R)-3-amino-3-(5-bromo-3-fluoro-2-pyridinyl)butanoic acid?
The InChIKey is WWTDHPHIZMYVKN-SECBINFHSA-N. The full InChI is InChI=1S/C9H10BrFN2O2/c1-9(12,3-7(14)15)8-6(11)2-5(10)4-13-8/h2,4H,3,12H2,1H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (3R)-3-amino-3-(5-bromo-3-fluoro-2-pyridinyl)butanoic acid?
(3R)-3-amino-3-(5-bromo-3-fluoro-2-pyridinyl)butanoic acid has a molecular weight of 277.09 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(5-bromo-3-fluoro-2-pyridinyl)butanoic acid is sourced from PubChem (CID 131538063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).