ethyl 5-(5-bromo-2-hydroxybenzoyl)pyridine-3-carboxylate

C15H12BrNO4 — CID 139223715

IUPACethyl 5-(5-bromo-2-hydroxybenzoyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(C(=O)c2cc(Br)ccc2O)c1
InChIInChI=1S/C15H12BrNO4/c1-2-21-15(20)10-5-9(7-17-8-10)14(19)12-6-11(16)3-4-13(12)18/h3-8,18H,2H2,1H3
InChIKeyJFYWJASCCCJTFZ-UHFFFAOYSA-N
MW350.17 g/mol
LogP2.96
Rot. Bonds4

About ethyl 5-(5-bromo-2-hydroxybenzoyl)pyridine-3-carboxylate

ethyl 5-(5-bromo-2-hydroxybenzoyl)pyridine-3-carboxylate (PubChem CID 139223715) has the molecular formula C15H12BrNO4 and a molecular weight of 350.17 g/mol. Its IUPAC name is ethyl 5-(5-bromo-2-hydroxybenzoyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(5-bromo-2-hydroxybenzoyl)pyridine-3-carboxylate
PubChem CID139223715
Molecular FormulaC15H12BrNO4
Molecular Weight350.17 g/mol
Exact Mass348.99
IUPAC Nameethyl 5-(5-bromo-2-hydroxybenzoyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(C(=O)c2cc(Br)ccc2O)c1
InChIInChI=1S/C15H12BrNO4/c1-2-21-15(20)10-5-9(7-17-8-10)14(19)12-6-11(16)3-4-13(12)18/h3-8,18H,2H2,1H3
InChIKeyJFYWJASCCCJTFZ-UHFFFAOYSA-N
XLogP2.96
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(5-bromo-2-hydroxybenzoyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(5-bromo-2-hydroxybenzoyl)pyridine-3-carboxylate (CID 139223715) is ethyl 5-(5-bromo-2-hydroxybenzoyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(5-bromo-2-hydroxybenzoyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(5-bromo-2-hydroxybenzoyl)pyridine-3-carboxylate is CCOC(=O)c1cncc(C(=O)c2cc(Br)ccc2O)c1.
What is the InChIKey of ethyl 5-(5-bromo-2-hydroxybenzoyl)pyridine-3-carboxylate?
The InChIKey is JFYWJASCCCJTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO4/c1-2-21-15(20)10-5-9(7-17-8-10)14(19)12-6-11(16)3-4-13(12)18/h3-8,18H,2H2,1H3.
What are the key properties of ethyl 5-(5-bromo-2-hydroxybenzoyl)pyridine-3-carboxylate?
ethyl 5-(5-bromo-2-hydroxybenzoyl)pyridine-3-carboxylate has a molecular weight of 350.17 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(5-bromo-2-hydroxybenzoyl)pyridine-3-carboxylate is sourced from PubChem (CID 139223715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).