ethyl 5-bromo-2-(1,3-dimethoxypropan-2-yloxy)pyridine-3-carboxylate

C13H18BrNO5 — CID 59353668

IUPACethyl 5-bromo-2-(1,3-dimethoxypropan-2-yloxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(Br)cnc1OC(COC)COC
InChIInChI=1S/C13H18BrNO5/c1-4-19-13(16)11-5-9(14)6-15-12(11)20-10(7-17-2)8-18-3/h5-6,10H,4,7-8H2,1-3H3
InChIKeyUTLOUNCYHIPYDV-UHFFFAOYSA-N
MW348.19 g/mol
LogP2.06
Rot. Bonds8

About ethyl 5-bromo-2-(1,3-dimethoxypropan-2-yloxy)pyridine-3-carboxylate

ethyl 5-bromo-2-(1,3-dimethoxypropan-2-yloxy)pyridine-3-carboxylate (PubChem CID 59353668) has the molecular formula C13H18BrNO5 and a molecular weight of 348.19 g/mol. Its IUPAC name is ethyl 5-bromo-2-(1,3-dimethoxypropan-2-yloxy)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-bromo-2-(1,3-dimethoxypropan-2-yloxy)pyridine-3-carboxylate
PubChem CID59353668
Molecular FormulaC13H18BrNO5
Molecular Weight348.19 g/mol
Exact Mass347.04
IUPAC Nameethyl 5-bromo-2-(1,3-dimethoxypropan-2-yloxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(Br)cnc1OC(COC)COC
InChIInChI=1S/C13H18BrNO5/c1-4-19-13(16)11-5-9(14)6-15-12(11)20-10(7-17-2)8-18-3/h5-6,10H,4,7-8H2,1-3H3
InChIKeyUTLOUNCYHIPYDV-UHFFFAOYSA-N
XLogP2.06
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2,5-dibromopyridine-3-carboxylate
CID 46311328
ethyl 4-bromo-6-propan-2-ylpyridine-3-carboxylate
CID 172993527
ethyl 6-bromo-[1,3]oxazolo[4,5-b]pyridine-2-carboxylate
CID 67959264
5-bromo-2-methoxypyridine-3-carboxamide
CID 70281718
ethyl 5-bromo-3-iodopyridine-2-carboxylate
CID 133062271
(5-ethoxycarbonyl-6-methoxy-3-pyridinyl)boronic acid
CID 170902896
5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboxylic acid
CID 104560416
ethyl 5-amino-2-(2-propan-2-yloxyethoxy)pyridine-3-carboxylate
CID 114047587
1-O-(1,3-dimethoxypropan-2-yl) 2-O-ethyl 4-methylbenzene-1,2-dicarboxylate
CID 141353503
ethyl 5-bromo-6-propan-2-yloxypyridine-3-carboxylate
CID 133062104
ethyl 2,3,5-tribromobenzoate
CID 112694304
5-bromo-2-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-carboxamide
CID 62236996

Frequently Asked Questions

What is the IUPAC name of ethyl 5-bromo-2-(1,3-dimethoxypropan-2-yloxy)pyridine-3-carboxylate?
The IUPAC name of ethyl 5-bromo-2-(1,3-dimethoxypropan-2-yloxy)pyridine-3-carboxylate (CID 59353668) is ethyl 5-bromo-2-(1,3-dimethoxypropan-2-yloxy)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-bromo-2-(1,3-dimethoxypropan-2-yloxy)pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-bromo-2-(1,3-dimethoxypropan-2-yloxy)pyridine-3-carboxylate is CCOC(=O)c1cc(Br)cnc1OC(COC)COC.
What is the InChIKey of ethyl 5-bromo-2-(1,3-dimethoxypropan-2-yloxy)pyridine-3-carboxylate?
The InChIKey is UTLOUNCYHIPYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO5/c1-4-19-13(16)11-5-9(14)6-15-12(11)20-10(7-17-2)8-18-3/h5-6,10H,4,7-8H2,1-3H3.
What are the key properties of ethyl 5-bromo-2-(1,3-dimethoxypropan-2-yloxy)pyridine-3-carboxylate?
ethyl 5-bromo-2-(1,3-dimethoxypropan-2-yloxy)pyridine-3-carboxylate has a molecular weight of 348.19 g/mol, XLogP of 2.06, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-bromo-2-(1,3-dimethoxypropan-2-yloxy)pyridine-3-carboxylate is sourced from PubChem (CID 59353668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).