(2R)-2-(3,5-dichloro-2-oxo-1-pyridinyl)butanoic acid

C9H9Cl2NO3 — CID 94750722

IUPAC(2R)-2-(3,5-dichloro-2-oxo-1-pyridinyl)butanoic acid
SMILESCC[C@H](C(=O)O)n1cc(Cl)cc(Cl)c1=O
InChIInChI=1S/C9H9Cl2NO3/c1-2-7(9(14)15)12-4-5(10)3-6(11)8(12)13/h3-4,7H,2H2,1H3,(H,14,15)/t7-/m1/s1
InChIKeyOPJWRRPBELQRRD-SSDOTTSWSA-N
MW250.08 g/mol
LogP2.19
Rot. Bonds3

About (2R)-2-(3,5-dichloro-2-oxo-1-pyridinyl)butanoic acid

(2R)-2-(3,5-dichloro-2-oxo-1-pyridinyl)butanoic acid (PubChem CID 94750722) has the molecular formula C9H9Cl2NO3 and a molecular weight of 250.08 g/mol. Its IUPAC name is (2R)-2-(3,5-dichloro-2-oxo-1-pyridinyl)butanoic acid.

Molecular Properties

Compound Name(2R)-2-(3,5-dichloro-2-oxo-1-pyridinyl)butanoic acid
PubChem CID94750722
Molecular FormulaC9H9Cl2NO3
Molecular Weight250.08 g/mol
Exact Mass249.00
IUPAC Name(2R)-2-(3,5-dichloro-2-oxo-1-pyridinyl)butanoic acid
SMILESCC[C@H](C(=O)O)n1cc(Cl)cc(Cl)c1=O
InChIInChI=1S/C9H9Cl2NO3/c1-2-7(9(14)15)12-4-5(10)3-6(11)8(12)13/h3-4,7H,2H2,1H3,(H,14,15)/t7-/m1/s1
InChIKeyOPJWRRPBELQRRD-SSDOTTSWSA-N
XLogP2.19
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dichloro-2-oxo-1-pyridinyl)butanoic acid?
The IUPAC name of (2R)-2-(3,5-dichloro-2-oxo-1-pyridinyl)butanoic acid (CID 94750722) is (2R)-2-(3,5-dichloro-2-oxo-1-pyridinyl)butanoic acid.
What is the SMILES notation for (2R)-2-(3,5-dichloro-2-oxo-1-pyridinyl)butanoic acid?
The canonical SMILES for (2R)-2-(3,5-dichloro-2-oxo-1-pyridinyl)butanoic acid is CC[C@H](C(=O)O)n1cc(Cl)cc(Cl)c1=O.
What is the InChIKey of (2R)-2-(3,5-dichloro-2-oxo-1-pyridinyl)butanoic acid?
The InChIKey is OPJWRRPBELQRRD-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H9Cl2NO3/c1-2-7(9(14)15)12-4-5(10)3-6(11)8(12)13/h3-4,7H,2H2,1H3,(H,14,15)/t7-/m1/s1.
What are the key properties of (2R)-2-(3,5-dichloro-2-oxo-1-pyridinyl)butanoic acid?
(2R)-2-(3,5-dichloro-2-oxo-1-pyridinyl)butanoic acid has a molecular weight of 250.08 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dichloro-2-oxo-1-pyridinyl)butanoic acid is sourced from PubChem (CID 94750722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).