(5-chloro-2-oxo-1H-pyridin-4-yl) 3-methylbenzoate

C13H10ClNO3 — CID 14049643

IUPAC(5-chloro-2-oxo-1H-pyridin-4-yl) 3-methylbenzoate
SMILESCc1cccc(C(=O)Oc2cc(=O)[nH]cc2Cl)c1
InChIInChI=1S/C13H10ClNO3/c1-8-3-2-4-9(5-8)13(17)18-11-6-12(16)15-7-10(11)14/h2-7H,1H3,(H,15,16)
InChIKeyMPIAMGXNRWQTKX-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.56
Rot. Bonds2

About (5-chloro-2-oxo-1H-pyridin-4-yl) 3-methylbenzoate

(5-chloro-2-oxo-1H-pyridin-4-yl) 3-methylbenzoate (PubChem CID 14049643) has the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol. Its IUPAC name is (5-chloro-2-oxo-1H-pyridin-4-yl) 3-methylbenzoate.

Molecular Properties

Compound Name(5-chloro-2-oxo-1H-pyridin-4-yl) 3-methylbenzoate
PubChem CID14049643
Molecular FormulaC13H10ClNO3
Molecular Weight263.68 g/mol
Exact Mass263.03
IUPAC Name(5-chloro-2-oxo-1H-pyridin-4-yl) 3-methylbenzoate
SMILESCc1cccc(C(=O)Oc2cc(=O)[nH]cc2Cl)c1
InChIInChI=1S/C13H10ClNO3/c1-8-3-2-4-9(5-8)13(17)18-11-6-12(16)15-7-10(11)14/h2-7H,1H3,(H,15,16)
InChIKeyMPIAMGXNRWQTKX-UHFFFAOYSA-N
XLogP2.56
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-oxo-1H-pyridin-4-yl) 3-methylbenzoate?
The IUPAC name of (5-chloro-2-oxo-1H-pyridin-4-yl) 3-methylbenzoate (CID 14049643) is (5-chloro-2-oxo-1H-pyridin-4-yl) 3-methylbenzoate.
What is the SMILES notation for (5-chloro-2-oxo-1H-pyridin-4-yl) 3-methylbenzoate?
The canonical SMILES for (5-chloro-2-oxo-1H-pyridin-4-yl) 3-methylbenzoate is Cc1cccc(C(=O)Oc2cc(=O)[nH]cc2Cl)c1.
What is the InChIKey of (5-chloro-2-oxo-1H-pyridin-4-yl) 3-methylbenzoate?
The InChIKey is MPIAMGXNRWQTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3/c1-8-3-2-4-9(5-8)13(17)18-11-6-12(16)15-7-10(11)14/h2-7H,1H3,(H,15,16).
What are the key properties of (5-chloro-2-oxo-1H-pyridin-4-yl) 3-methylbenzoate?
(5-chloro-2-oxo-1H-pyridin-4-yl) 3-methylbenzoate has a molecular weight of 263.68 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-oxo-1H-pyridin-4-yl) 3-methylbenzoate is sourced from PubChem (CID 14049643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).