(2-oxo-1-pyridinyl) 2-bromobenzoate

C12H8BrNO3 — CID 101019843

IUPAC(2-oxo-1-pyridinyl) 2-bromobenzoate
SMILESO=C(On1ccccc1=O)c1ccccc1Br
InChIInChI=1S/C12H8BrNO3/c13-10-6-2-1-5-9(10)12(16)17-14-8-4-3-7-11(14)15/h1-8H
InChIKeyBLUDMHGVQHUBGZ-UHFFFAOYSA-N
MW294.10 g/mol
LogP1.88
Rot. Bonds2

About (2-oxo-1-pyridinyl) 2-bromobenzoate

(2-oxo-1-pyridinyl) 2-bromobenzoate (PubChem CID 101019843) has the molecular formula C12H8BrNO3 and a molecular weight of 294.10 g/mol. Its IUPAC name is (2-oxo-1-pyridinyl) 2-bromobenzoate.

Molecular Properties

Compound Name(2-oxo-1-pyridinyl) 2-bromobenzoate
PubChem CID101019843
Molecular FormulaC12H8BrNO3
Molecular Weight294.10 g/mol
Exact Mass292.97
IUPAC Name(2-oxo-1-pyridinyl) 2-bromobenzoate
SMILESO=C(On1ccccc1=O)c1ccccc1Br
InChIInChI=1S/C12H8BrNO3/c13-10-6-2-1-5-9(10)12(16)17-14-8-4-3-7-11(14)15/h1-8H
InChIKeyBLUDMHGVQHUBGZ-UHFFFAOYSA-N
XLogP1.88
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.10
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1,3-dioxoisoindol-2-yl) 2-bromobenzoate
CID 132508616
(2-oxo-1-pyridinyl) propan-2-yl carbonate
CID 59672521
(2-bromobenzoyl) 2-chlorobenzoate
CID 88812522
S-(2-bromobenzoyl)sulfanyl 2-bromobenzenecarbothioate
CID 10071435
1-O-(2-oxo-1-pyridinyl) 5-O-(2-sulfanylidene-1-pyridinyl) pentanedioate
CID 129117690
[2-oxo-2-(propan-2-ylamino)ethyl] 2-bromobenzoate
CID 2416256
1-O-(2-oxo-1-pyridinyl) 7-O-(2-sulfanylidene-1-pyridinyl) heptanedioate
CID 129117687
(1-methyl-2-oxoquinolin-4-yl) 2-bromobenzoate
CID 10808284
(3,4-dichlorophenyl) 2-bromobenzoate
CID 532491
Se-(2-bromobenzoyl)selanyl 2-bromobenzenecarboselenoate
CID 14715010
(4-iodophenyl) 2-bromobenzoate
CID 7924344
ethane;propyl 2-bromobenzoate
CID 90697369

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1-pyridinyl) 2-bromobenzoate?
The IUPAC name of (2-oxo-1-pyridinyl) 2-bromobenzoate (CID 101019843) is (2-oxo-1-pyridinyl) 2-bromobenzoate.
What is the SMILES notation for (2-oxo-1-pyridinyl) 2-bromobenzoate?
The canonical SMILES for (2-oxo-1-pyridinyl) 2-bromobenzoate is O=C(On1ccccc1=O)c1ccccc1Br.
What is the InChIKey of (2-oxo-1-pyridinyl) 2-bromobenzoate?
The InChIKey is BLUDMHGVQHUBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrNO3/c13-10-6-2-1-5-9(10)12(16)17-14-8-4-3-7-11(14)15/h1-8H.
What are the key properties of (2-oxo-1-pyridinyl) 2-bromobenzoate?
(2-oxo-1-pyridinyl) 2-bromobenzoate has a molecular weight of 294.10 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1-pyridinyl) 2-bromobenzoate is sourced from PubChem (CID 101019843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).