phenacyl 5-bromopyridine-3-carboxylate

C14H10BrNO3 — CID 2586792

IUPACphenacyl 5-bromopyridine-3-carboxylate
SMILESO=C(COC(=O)c1cncc(Br)c1)c1ccccc1
InChIInChI=1S/C14H10BrNO3/c15-12-6-11(7-16-8-12)14(18)19-9-13(17)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyUUMZWWUDDZHDSP-UHFFFAOYSA-N
MW320.14 g/mol
LogP2.88
Rot. Bonds4

About phenacyl 5-bromopyridine-3-carboxylate

phenacyl 5-bromopyridine-3-carboxylate (PubChem CID 2586792) has the molecular formula C14H10BrNO3 and a molecular weight of 320.14 g/mol. Its IUPAC name is phenacyl 5-bromopyridine-3-carboxylate.

Molecular Properties

Compound Namephenacyl 5-bromopyridine-3-carboxylate
PubChem CID2586792
Molecular FormulaC14H10BrNO3
Molecular Weight320.14 g/mol
Exact Mass318.98
IUPAC Namephenacyl 5-bromopyridine-3-carboxylate
SMILESO=C(COC(=O)c1cncc(Br)c1)c1ccccc1
InChIInChI=1S/C14H10BrNO3/c15-12-6-11(7-16-8-12)14(18)19-9-13(17)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyUUMZWWUDDZHDSP-UHFFFAOYSA-N
XLogP2.88
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.14
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 5-bromopyridine-3-carboxylate
CID 8871549
[2-oxo-2-(3-phenoxyanilino)ethyl] 5-bromopyridine-3-carboxylate
CID 16523043
[2-(4-benzoyloxyphenyl)-2-oxoethyl] 3-bromobenzoate
CID 1218403
[2-(2,6-dimethylanilino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2606025
[2-(2-ethoxyanilino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2616323
[2-(ethoxycarbonylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2629648
N'-benzoyl-5-bromopyridine-3-carbohydrazide
CID 40613239
[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] 5-bromopyridine-3-carboxylate
CID 40984977
[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 23991303
phenacyl 3-bromo-4-methylbenzoate
CID 882326
[2-(4-bromophenyl)-2-oxoethyl] 3-phenoxybenzoate
CID 7701050
[2-(cyclopropylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2365821

Frequently Asked Questions

What is the IUPAC name of phenacyl 5-bromopyridine-3-carboxylate?
The IUPAC name of phenacyl 5-bromopyridine-3-carboxylate (CID 2586792) is phenacyl 5-bromopyridine-3-carboxylate.
What is the SMILES notation for phenacyl 5-bromopyridine-3-carboxylate?
The canonical SMILES for phenacyl 5-bromopyridine-3-carboxylate is O=C(COC(=O)c1cncc(Br)c1)c1ccccc1.
What is the InChIKey of phenacyl 5-bromopyridine-3-carboxylate?
The InChIKey is UUMZWWUDDZHDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO3/c15-12-6-11(7-16-8-12)14(18)19-9-13(17)10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of phenacyl 5-bromopyridine-3-carboxylate?
phenacyl 5-bromopyridine-3-carboxylate has a molecular weight of 320.14 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 5-bromopyridine-3-carboxylate is sourced from PubChem (CID 2586792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).