(3R)-3-amino-3-(6-bromo-2-chloro-3-pyridinyl)propanoic acid

C8H8BrClN2O2 — CID 130627537

IUPAC(3R)-3-amino-3-(6-bromo-2-chloro-3-pyridinyl)propanoic acid
SMILESN[C@H](CC(=O)O)c1ccc(Br)nc1Cl
InChIInChI=1S/C8H8BrClN2O2/c9-6-2-1-4(8(10)12-6)5(11)3-7(13)14/h1-2,5H,3,11H2,(H,13,14)/t5-/m1/s1
InChIKeyQWQPWDBCYNZMSO-RXMQYKEDSA-N
MW279.52 g/mol
LogP1.97
Rot. Bonds3

About (3R)-3-amino-3-(6-bromo-2-chloro-3-pyridinyl)propanoic acid

(3R)-3-amino-3-(6-bromo-2-chloro-3-pyridinyl)propanoic acid (PubChem CID 130627537) has the molecular formula C8H8BrClN2O2 and a molecular weight of 279.52 g/mol. Its IUPAC name is (3R)-3-amino-3-(6-bromo-2-chloro-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-3-(6-bromo-2-chloro-3-pyridinyl)propanoic acid
PubChem CID130627537
Molecular FormulaC8H8BrClN2O2
Molecular Weight279.52 g/mol
Exact Mass277.95
IUPAC Name(3R)-3-amino-3-(6-bromo-2-chloro-3-pyridinyl)propanoic acid
SMILESN[C@H](CC(=O)O)c1ccc(Br)nc1Cl
InChIInChI=1S/C8H8BrClN2O2/c9-6-2-1-4(8(10)12-6)5(11)3-7(13)14/h1-2,5H,3,11H2,(H,13,14)/t5-/m1/s1
InChIKeyQWQPWDBCYNZMSO-RXMQYKEDSA-N
XLogP1.97
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.52
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-amino-3-(2-amino-6-chloro-3-pyridinyl)propanoic acid
CID 131038076
3-amino-3-(2-chloro-3-pyridinyl)propanoic acid
CID 53417344
3-amino-3-(2,6-dimethyl-3-pyridinyl)propanoic acid
CID 55296014
3-amino-3-(5-bromo-2-propan-2-ylphenyl)propanoic acid
CID 84813630
3-amino-3-(3-chloro-2,4-dimethylphenyl)propanoic acid
CID 84791799
ethyl (3S)-3-amino-3-(2,6-dichloro-3-pyridinyl)propanoate
CID 171223154
3-amino-3-(5-bromo-3-chloro-2-methylphenyl)propanoic acid
CID 117472465
(3S)-3-amino-3-(2-bromo-1H-pyrrol-3-yl)propanoic acid
CID 130718416
3-amino-3-(2-bromo-3-hydroxyphenyl)propanoic acid
CID 130041935
(3S)-3-amino-3-(2-bromo-5-hydroxyphenyl)propanoic acid
CID 130706996
(3S)-3-amino-3-(5-amino-2-chloro-3-pyridinyl)propanoic acid
CID 130667167
(3S)-3-amino-3-(2,4-dihydroxyphenyl)propanoic acid
CID 9152250

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(6-bromo-2-chloro-3-pyridinyl)propanoic acid?
The IUPAC name of (3R)-3-amino-3-(6-bromo-2-chloro-3-pyridinyl)propanoic acid (CID 130627537) is (3R)-3-amino-3-(6-bromo-2-chloro-3-pyridinyl)propanoic acid.
What is the SMILES notation for (3R)-3-amino-3-(6-bromo-2-chloro-3-pyridinyl)propanoic acid?
The canonical SMILES for (3R)-3-amino-3-(6-bromo-2-chloro-3-pyridinyl)propanoic acid is N[C@H](CC(=O)O)c1ccc(Br)nc1Cl.
What is the InChIKey of (3R)-3-amino-3-(6-bromo-2-chloro-3-pyridinyl)propanoic acid?
The InChIKey is QWQPWDBCYNZMSO-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H8BrClN2O2/c9-6-2-1-4(8(10)12-6)5(11)3-7(13)14/h1-2,5H,3,11H2,(H,13,14)/t5-/m1/s1.
What are the key properties of (3R)-3-amino-3-(6-bromo-2-chloro-3-pyridinyl)propanoic acid?
(3R)-3-amino-3-(6-bromo-2-chloro-3-pyridinyl)propanoic acid has a molecular weight of 279.52 g/mol, XLogP of 1.97, 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-(6-bromo-2-chloro-3-pyridinyl)propanoic acid is sourced from PubChem (CID 130627537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).