ethyl 5-bromo-6-propan-2-yloxypyridine-3-carboxylate

C11H14BrNO3 — CID 133062104

IUPACethyl 5-bromo-6-propan-2-yloxypyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(OC(C)C)c(Br)c1
InChIInChI=1S/C11H14BrNO3/c1-4-15-11(14)8-5-9(12)10(13-6-8)16-7(2)3/h5-7H,4H2,1-3H3
InChIKeyOUKCYKWUWLANFO-UHFFFAOYSA-N
MW288.14 g/mol
LogP2.81
Rot. Bonds4

About ethyl 5-bromo-6-propan-2-yloxypyridine-3-carboxylate

ethyl 5-bromo-6-propan-2-yloxypyridine-3-carboxylate (PubChem CID 133062104) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is ethyl 5-bromo-6-propan-2-yloxypyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-bromo-6-propan-2-yloxypyridine-3-carboxylate
PubChem CID133062104
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Nameethyl 5-bromo-6-propan-2-yloxypyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(OC(C)C)c(Br)c1
InChIInChI=1S/C11H14BrNO3/c1-4-15-11(14)8-5-9(12)10(13-6-8)16-7(2)3/h5-7H,4H2,1-3H3
InChIKeyOUKCYKWUWLANFO-UHFFFAOYSA-N
XLogP2.81
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 5-bromo-6-methoxypyridine-3-carboxylate
CID 133057466
ethyl 5-bromo-6-(dimethylaminomethylideneamino)pyridine-3-carboxylate
CID 131749966
5-bromo-6-ethoxypyridine-3-carboxylic acid
CID 66835474
ethyl 3-bromofuro[2,3-b]pyridine-5-carboxylate
CID 68663627
sodium;2-acetyloxyethyl 6-(2-acetyloxyethoxy)-5-bromopyridine-3-carboxylate;hydride
CID 67170540
ethyl 5-hydroxy-6-methylpyridine-3-carboxylate
CID 15619972
ethyl 3-bromo-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxylate
CID 162358895
propan-2-yl 5-iodo-6-propan-2-yloxypyridine-3-carboxylate
CID 133057671
ethyl 6-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 87426687
ethyl 6-amino-5-iodopyridine-3-carboxylate
CID 67057368
ethyl 4-acetyl-3-bromobenzoate
CID 70257309
ethyl 5-(aminomethyl)-6-methylpyridine-3-carboxylate
CID 118366162

Frequently Asked Questions

What is the IUPAC name of ethyl 5-bromo-6-propan-2-yloxypyridine-3-carboxylate?
The IUPAC name of ethyl 5-bromo-6-propan-2-yloxypyridine-3-carboxylate (CID 133062104) is ethyl 5-bromo-6-propan-2-yloxypyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-bromo-6-propan-2-yloxypyridine-3-carboxylate?
The canonical SMILES for ethyl 5-bromo-6-propan-2-yloxypyridine-3-carboxylate is CCOC(=O)c1cnc(OC(C)C)c(Br)c1.
What is the InChIKey of ethyl 5-bromo-6-propan-2-yloxypyridine-3-carboxylate?
The InChIKey is OUKCYKWUWLANFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-4-15-11(14)8-5-9(12)10(13-6-8)16-7(2)3/h5-7H,4H2,1-3H3.
What are the key properties of ethyl 5-bromo-6-propan-2-yloxypyridine-3-carboxylate?
ethyl 5-bromo-6-propan-2-yloxypyridine-3-carboxylate has a molecular weight of 288.14 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-bromo-6-propan-2-yloxypyridine-3-carboxylate is sourced from PubChem (CID 133062104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).