2-[2-(5-bromo-2-oxo-1-pyridinyl)ethoxy]benzoic acid

C14H12BrNO4 — CID 43532494

IUPAC2-[2-(5-bromo-2-oxo-1-pyridinyl)ethoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCCn1cc(Br)ccc1=O
InChIInChI=1S/C14H12BrNO4/c15-10-5-6-13(17)16(9-10)7-8-20-12-4-2-1-3-11(12)14(18)19/h1-6,9H,7-8H2,(H,18,19)
InChIKeyHKVCVRBPYFOZQN-UHFFFAOYSA-N
MW338.16 g/mol
LogP2.39
Rot. Bonds5

About 2-[2-(5-bromo-2-oxo-1-pyridinyl)ethoxy]benzoic acid

2-[2-(5-bromo-2-oxo-1-pyridinyl)ethoxy]benzoic acid (PubChem CID 43532494) has the molecular formula C14H12BrNO4 and a molecular weight of 338.16 g/mol. Its IUPAC name is 2-[2-(5-bromo-2-oxo-1-pyridinyl)ethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-(5-bromo-2-oxo-1-pyridinyl)ethoxy]benzoic acid
PubChem CID43532494
Molecular FormulaC14H12BrNO4
Molecular Weight338.16 g/mol
Exact Mass336.99
IUPAC Name2-[2-(5-bromo-2-oxo-1-pyridinyl)ethoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCCn1cc(Br)ccc1=O
InChIInChI=1S/C14H12BrNO4/c15-10-5-6-13(17)16(9-10)7-8-20-12-4-2-1-3-11(12)14(18)19/h1-6,9H,7-8H2,(H,18,19)
InChIKeyHKVCVRBPYFOZQN-UHFFFAOYSA-N
XLogP2.39
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-1-[2-(2-methylphenoxy)ethyl]pyridin-2-one
CID 52891668
2-(2-thiomorpholin-4-ylethoxy)benzoic acid
CID 43532595
2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzoic acid
CID 43532506
2-[2-(4-benzylpiperazin-1-yl)ethoxy]benzoic acid
CID 23009919
2-[2-(5-iodo-6-oxopyrimidin-1-yl)ethoxy]benzoic acid
CID 66308834
2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
CID 2215647
1-[2-(4-aminophenoxy)ethyl]-5-bromopyridin-2-one
CID 43365768
2-[2-(4-methyl-2,3-dioxopiperazin-1-yl)ethoxy]benzoic acid
CID 62927721
2-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]benzoic acid
CID 43532589
2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]pyridine-3-carboxylic acid
CID 63652158
2-[2-(4-methylazepan-1-yl)ethoxy]benzoic acid
CID 63622429
1,2-bis[2-[2-(azocan-1-yl)ethoxy]phenyl]ethane-1,2-dione
CID 21486308

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromo-2-oxo-1-pyridinyl)ethoxy]benzoic acid?
The IUPAC name of 2-[2-(5-bromo-2-oxo-1-pyridinyl)ethoxy]benzoic acid (CID 43532494) is 2-[2-(5-bromo-2-oxo-1-pyridinyl)ethoxy]benzoic acid.
What is the SMILES notation for 2-[2-(5-bromo-2-oxo-1-pyridinyl)ethoxy]benzoic acid?
The canonical SMILES for 2-[2-(5-bromo-2-oxo-1-pyridinyl)ethoxy]benzoic acid is O=C(O)c1ccccc1OCCn1cc(Br)ccc1=O.
What is the InChIKey of 2-[2-(5-bromo-2-oxo-1-pyridinyl)ethoxy]benzoic acid?
The InChIKey is HKVCVRBPYFOZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO4/c15-10-5-6-13(17)16(9-10)7-8-20-12-4-2-1-3-11(12)14(18)19/h1-6,9H,7-8H2,(H,18,19).
What are the key properties of 2-[2-(5-bromo-2-oxo-1-pyridinyl)ethoxy]benzoic acid?
2-[2-(5-bromo-2-oxo-1-pyridinyl)ethoxy]benzoic acid has a molecular weight of 338.16 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromo-2-oxo-1-pyridinyl)ethoxy]benzoic acid is sourced from PubChem (CID 43532494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).