ethyl 5-bromo-4-chloro-2-methylpyrazolo[1,5-a]pyridine-3-carboxylate

C11H10BrClN2O2 — CID 164860766

IUPACethyl 5-bromo-4-chloro-2-methylpyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nn2ccc(Br)c(Cl)c12
InChIInChI=1S/C11H10BrClN2O2/c1-3-17-11(16)8-6(2)14-15-5-4-7(12)9(13)10(8)15/h4-5H,3H2,1-2H3
InChIKeyUBUYVAGZYLEEHO-UHFFFAOYSA-N
MW317.57 g/mol
LogP3.24
Rot. Bonds2

About ethyl 5-bromo-4-chloro-2-methylpyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 5-bromo-4-chloro-2-methylpyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 164860766) has the molecular formula C11H10BrClN2O2 and a molecular weight of 317.57 g/mol. Its IUPAC name is ethyl 5-bromo-4-chloro-2-methylpyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-bromo-4-chloro-2-methylpyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID164860766
Molecular FormulaC11H10BrClN2O2
Molecular Weight317.57 g/mol
Exact Mass315.96
IUPAC Nameethyl 5-bromo-4-chloro-2-methylpyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nn2ccc(Br)c(Cl)c12
InChIInChI=1S/C11H10BrClN2O2/c1-3-17-11(16)8-6(2)14-15-5-4-7(12)9(13)10(8)15/h4-5H,3H2,1-2H3
InChIKeyUBUYVAGZYLEEHO-UHFFFAOYSA-N
XLogP3.24
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.57
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 68503367
ethyl 4-bromo-2,3-dichlorobenzoate
CID 163198210
ethyl 6-bromo-2-chloro-3-fluorobenzoate
CID 129321242
ethyl 4-chloro-1,6-dimethylpyrrolo[2,3-b]pyridine-5-carboxylate
CID 135395277
ethyl 2,6-dibromo-4-chlorobenzoate
CID 171033804
ethyl 1-amino-3,5-dimethylpyrazole-4-carboxylate
CID 70386750
diethyl 4,6-dibromopyrazolo[1,5-a]pyridine-2,3-dicarboxylate
CID 118286898
ethyl 2,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 126763838
ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate
CID 59868739
ethyl 2-bromo-4,6-dichlorobenzoate
CID 165358373
ethyl 2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90134610
ethyl 1-(3-bromo-2-pyridinyl)-5-ethyl-3-methylpyrazole-4-carboxylate
CID 150265683

Frequently Asked Questions

What is the IUPAC name of ethyl 5-bromo-4-chloro-2-methylpyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-bromo-4-chloro-2-methylpyrazolo[1,5-a]pyridine-3-carboxylate (CID 164860766) is ethyl 5-bromo-4-chloro-2-methylpyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-bromo-4-chloro-2-methylpyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-bromo-4-chloro-2-methylpyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1c(C)nn2ccc(Br)c(Cl)c12.
What is the InChIKey of ethyl 5-bromo-4-chloro-2-methylpyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is UBUYVAGZYLEEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O2/c1-3-17-11(16)8-6(2)14-15-5-4-7(12)9(13)10(8)15/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 5-bromo-4-chloro-2-methylpyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 5-bromo-4-chloro-2-methylpyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 317.57 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-bromo-4-chloro-2-methylpyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 164860766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).