ethyl 5-(5-bromo-3-hydroxy-2-pyridinyl)-1-ethylpyrazole-3-carboxylate

C13H14BrN3O3 — CID 146285920

IUPACethyl 5-(5-bromo-3-hydroxy-2-pyridinyl)-1-ethylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ncc(Br)cc2O)n(CC)n1
InChIInChI=1S/C13H14BrN3O3/c1-3-17-10(6-9(16-17)13(19)20-4-2)12-11(18)5-8(14)7-15-12/h5-7,18H,3-4H2,1-2H3
InChIKeyWHVNXHZFVDNYDL-UHFFFAOYSA-N
MW340.18 g/mol
LogP2.61
Rot. Bonds4

About ethyl 5-(5-bromo-3-hydroxy-2-pyridinyl)-1-ethylpyrazole-3-carboxylate

ethyl 5-(5-bromo-3-hydroxy-2-pyridinyl)-1-ethylpyrazole-3-carboxylate (PubChem CID 146285920) has the molecular formula C13H14BrN3O3 and a molecular weight of 340.18 g/mol. Its IUPAC name is ethyl 5-(5-bromo-3-hydroxy-2-pyridinyl)-1-ethylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(5-bromo-3-hydroxy-2-pyridinyl)-1-ethylpyrazole-3-carboxylate
PubChem CID146285920
Molecular FormulaC13H14BrN3O3
Molecular Weight340.18 g/mol
Exact Mass339.02
IUPAC Nameethyl 5-(5-bromo-3-hydroxy-2-pyridinyl)-1-ethylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ncc(Br)cc2O)n(CC)n1
InChIInChI=1S/C13H14BrN3O3/c1-3-17-10(6-9(16-17)13(19)20-4-2)12-11(18)5-8(14)7-15-12/h5-7,18H,3-4H2,1-2H3
InChIKeyWHVNXHZFVDNYDL-UHFFFAOYSA-N
XLogP2.61
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-2-(1,3-diethylpyrazol-5-yl)pyridin-3-ol
CID 153296762
ethyl 2,5-dibromopyridine-3-carboxylate
CID 46311328
1-(carboxymethyl)-3-ethoxycarbonylpyrazole-5-carboxylic acid
CID 58646658
ethyl 5-(3-bromophenyl)-1-methylpyrazole-3-carboxylate
CID 57428257
ethyl 5-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate
CID 91872786
ethyl 5-(4-bromophenyl)-1-pyridin-3-ylpyrazole-3-carboxylate
CID 23143530
ethyl 5-bromo-3-iodopyridine-2-carboxylate
CID 133062271
ethyl 4,5-diethylpyridine-2-carboxylate
CID 144863109
methyl 5-(5-bromo-3-nitro-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
CID 156694530
5-(4-bromophenyl)-1-ethylpyrazole-3-carbohydrazide
CID 91872233
ethyl 4-bromo-3,5-dihydroxybenzoate
CID 57419684
ethyl 1-(5-bromo-2-cyanophenyl)imidazole-4-carboxylate
CID 114203807

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(5-bromo-3-hydroxy-2-pyridinyl)-1-ethylpyrazole-3-carboxylate?
The IUPAC name of ethyl 5-(5-bromo-3-hydroxy-2-pyridinyl)-1-ethylpyrazole-3-carboxylate (CID 146285920) is ethyl 5-(5-bromo-3-hydroxy-2-pyridinyl)-1-ethylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(5-bromo-3-hydroxy-2-pyridinyl)-1-ethylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-(5-bromo-3-hydroxy-2-pyridinyl)-1-ethylpyrazole-3-carboxylate is CCOC(=O)c1cc(-c2ncc(Br)cc2O)n(CC)n1.
What is the InChIKey of ethyl 5-(5-bromo-3-hydroxy-2-pyridinyl)-1-ethylpyrazole-3-carboxylate?
The InChIKey is WHVNXHZFVDNYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O3/c1-3-17-10(6-9(16-17)13(19)20-4-2)12-11(18)5-8(14)7-15-12/h5-7,18H,3-4H2,1-2H3.
What are the key properties of ethyl 5-(5-bromo-3-hydroxy-2-pyridinyl)-1-ethylpyrazole-3-carboxylate?
ethyl 5-(5-bromo-3-hydroxy-2-pyridinyl)-1-ethylpyrazole-3-carboxylate has a molecular weight of 340.18 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(5-bromo-3-hydroxy-2-pyridinyl)-1-ethylpyrazole-3-carboxylate is sourced from PubChem (CID 146285920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).