ethyl 4-bromo-6-propan-2-ylpyridine-3-carboxylate

C11H14BrNO2 — CID 172993527

IUPACethyl 4-bromo-6-propan-2-ylpyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C(C)C)cc1Br
InChIInChI=1S/C11H14BrNO2/c1-4-15-11(14)8-6-13-10(7(2)3)5-9(8)12/h5-7H,4H2,1-3H3
InChIKeyJTZUMVMQYLIQDU-UHFFFAOYSA-N
MW272.14 g/mol
LogP3.14
Rot. Bonds3

About ethyl 4-bromo-6-propan-2-ylpyridine-3-carboxylate

ethyl 4-bromo-6-propan-2-ylpyridine-3-carboxylate (PubChem CID 172993527) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is ethyl 4-bromo-6-propan-2-ylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-bromo-6-propan-2-ylpyridine-3-carboxylate
PubChem CID172993527
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Nameethyl 4-bromo-6-propan-2-ylpyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C(C)C)cc1Br
InChIInChI=1S/C11H14BrNO2/c1-4-15-11(14)8-6-13-10(7(2)3)5-9(8)12/h5-7H,4H2,1-3H3
InChIKeyJTZUMVMQYLIQDU-UHFFFAOYSA-N
XLogP3.14
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6-(1-chloroethyl)-4-methylpyridine-3-carboxylate
CID 175365234
ethyl 5-propan-2-ylpyrazine-2-carboxylate
CID 59617996
ethyl 6-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 133091151
5-ethoxy-2-propan-2-ylpyridine-4-carboxylic acid
CID 132588856
ethyl 4-chloro-6-(difluoromethyl)pyridine-3-carboxylate
CID 133088345
ethyl 2,5-dibromopyridine-3-carboxylate
CID 46311328
ethyl 2,4-di(propan-2-yl)pyrimidine-5-carboxylate
CID 22831820
ethyl 6-(difluoromethyl)-4-methoxypyridine-3-carboxylate
CID 134682660
ethyl 2,5-dibromo-4-propanoylbenzoate
CID 142541176
ethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate
CID 134658831
ethyl 2,5-dibromo-4-fluorobenzoate
CID 79016537
ethyl 2-bromo-4-chloropyrimidine-5-carboxylate
CID 131528949

Frequently Asked Questions

What is the IUPAC name of ethyl 4-bromo-6-propan-2-ylpyridine-3-carboxylate?
The IUPAC name of ethyl 4-bromo-6-propan-2-ylpyridine-3-carboxylate (CID 172993527) is ethyl 4-bromo-6-propan-2-ylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-bromo-6-propan-2-ylpyridine-3-carboxylate?
The canonical SMILES for ethyl 4-bromo-6-propan-2-ylpyridine-3-carboxylate is CCOC(=O)c1cnc(C(C)C)cc1Br.
What is the InChIKey of ethyl 4-bromo-6-propan-2-ylpyridine-3-carboxylate?
The InChIKey is JTZUMVMQYLIQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-4-15-11(14)8-6-13-10(7(2)3)5-9(8)12/h5-7H,4H2,1-3H3.
What are the key properties of ethyl 4-bromo-6-propan-2-ylpyridine-3-carboxylate?
ethyl 4-bromo-6-propan-2-ylpyridine-3-carboxylate has a molecular weight of 272.14 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-bromo-6-propan-2-ylpyridine-3-carboxylate is sourced from PubChem (CID 172993527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).