(6-oxo-1H-pyridin-2-yl) 2,4-dichlorobenzoate

C12H7Cl2NO3 — CID 14049637

IUPAC(6-oxo-1H-pyridin-2-yl) 2,4-dichlorobenzoate
SMILESO=C(Oc1cccc(=O)[nH]1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H7Cl2NO3/c13-7-4-5-8(9(14)6-7)12(17)18-11-3-1-2-10(16)15-11/h1-6H,(H,15,16)
InChIKeyVWYDOSPHIBKFPQ-UHFFFAOYSA-N
MW284.10 g/mol
LogP2.90
Rot. Bonds2

About (6-oxo-1H-pyridin-2-yl) 2,4-dichlorobenzoate

(6-oxo-1H-pyridin-2-yl) 2,4-dichlorobenzoate (PubChem CID 14049637) has the molecular formula C12H7Cl2NO3 and a molecular weight of 284.10 g/mol. Its IUPAC name is (6-oxo-1H-pyridin-2-yl) 2,4-dichlorobenzoate.

Molecular Properties

Compound Name(6-oxo-1H-pyridin-2-yl) 2,4-dichlorobenzoate
PubChem CID14049637
Molecular FormulaC12H7Cl2NO3
Molecular Weight284.10 g/mol
Exact Mass282.98
IUPAC Name(6-oxo-1H-pyridin-2-yl) 2,4-dichlorobenzoate
SMILESO=C(Oc1cccc(=O)[nH]1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H7Cl2NO3/c13-7-4-5-8(9(14)6-7)12(17)18-11-3-1-2-10(16)15-11/h1-6H,(H,15,16)
InChIKeyVWYDOSPHIBKFPQ-UHFFFAOYSA-N
XLogP2.90
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.10
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-oxo-1H-pyridin-2-yl) 2,4-dichlorobenzoate?
The IUPAC name of (6-oxo-1H-pyridin-2-yl) 2,4-dichlorobenzoate (CID 14049637) is (6-oxo-1H-pyridin-2-yl) 2,4-dichlorobenzoate.
What is the SMILES notation for (6-oxo-1H-pyridin-2-yl) 2,4-dichlorobenzoate?
The canonical SMILES for (6-oxo-1H-pyridin-2-yl) 2,4-dichlorobenzoate is O=C(Oc1cccc(=O)[nH]1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (6-oxo-1H-pyridin-2-yl) 2,4-dichlorobenzoate?
The InChIKey is VWYDOSPHIBKFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NO3/c13-7-4-5-8(9(14)6-7)12(17)18-11-3-1-2-10(16)15-11/h1-6H,(H,15,16).
What are the key properties of (6-oxo-1H-pyridin-2-yl) 2,4-dichlorobenzoate?
(6-oxo-1H-pyridin-2-yl) 2,4-dichlorobenzoate has a molecular weight of 284.10 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-oxo-1H-pyridin-2-yl) 2,4-dichlorobenzoate is sourced from PubChem (CID 14049637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).