dimethyl 7-bromo-5-methylpyrazolo[1,5-a]pyridine-2,3-dicarboxylate

C12H11BrN2O4 — CID 165134241

IUPACdimethyl 7-bromo-5-methylpyrazolo[1,5-a]pyridine-2,3-dicarboxylate
SMILESCOC(=O)c1nn2c(Br)cc(C)cc2c1C(=O)OC
InChIInChI=1S/C12H11BrN2O4/c1-6-4-7-9(11(16)18-2)10(12(17)19-3)14-15(7)8(13)5-6/h4-5H,1-3H3
InChIKeyKGKBBFKPGCXBJF-UHFFFAOYSA-N
MW327.13 g/mol
LogP1.98
Rot. Bonds2

About dimethyl 7-bromo-5-methylpyrazolo[1,5-a]pyridine-2,3-dicarboxylate

dimethyl 7-bromo-5-methylpyrazolo[1,5-a]pyridine-2,3-dicarboxylate (PubChem CID 165134241) has the molecular formula C12H11BrN2O4 and a molecular weight of 327.13 g/mol. Its IUPAC name is dimethyl 7-bromo-5-methylpyrazolo[1,5-a]pyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 7-bromo-5-methylpyrazolo[1,5-a]pyridine-2,3-dicarboxylate
PubChem CID165134241
Molecular FormulaC12H11BrN2O4
Molecular Weight327.13 g/mol
Exact Mass325.99
IUPAC Namedimethyl 7-bromo-5-methylpyrazolo[1,5-a]pyridine-2,3-dicarboxylate
SMILESCOC(=O)c1nn2c(Br)cc(C)cc2c1C(=O)OC
InChIInChI=1S/C12H11BrN2O4/c1-6-4-7-9(11(16)18-2)10(12(17)19-3)14-15(7)8(13)5-6/h4-5H,1-3H3
InChIKeyKGKBBFKPGCXBJF-UHFFFAOYSA-N
XLogP1.98
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.13
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

dimethyl 5,7-dibromopyrazolo[1,5-a]pyridine-2,3-dicarboxylate
CID 87273869
dimethyl 5-bromo-7-methoxypyrazolo[1,5-a]pyridine-2,3-dicarboxylate
CID 156872686
7-bromo-5-cyclopropyl-2-methoxycarbonylpyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 175521536
methyl 4-bromo-5-methyl-1-(2,4,6-trimethylphenyl)pyrazole-3-carboxylate
CID 62795457
dimethyl 7-iodo-5-(1-methylsulfonylethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate
CID 87274426
methyl 7-bromo-3-[(E)-3-methoxy-3-oxoprop-1-enyl]pyrazolo[1,5-a]pyridine-2-carboxylate
CID 72793249
methyl 2-bromo-6-methoxy-4-methylbenzoate
CID 131571663
methyl 2,6-diamino-4-methylbenzoate
CID 57005581
methyl 2-hydroxy-4,6-dimethylbenzoate;methyl 2,4,6-trimethylbenzoate
CID 161420499
dimethyl 4,6-dimethyl-15-oxo-13,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5,7,9(16),10,12-heptaene-11,12-dicarboxylate
CID 11175959
methyl 2-bromopyrazolo[1,5-a]pyridine-3-carboxylate
CID 131527386
ethane;methyl 3-amino-5-bromo-6-methylpyridine-2-carboxylate
CID 170576528

Frequently Asked Questions

What is the IUPAC name of dimethyl 7-bromo-5-methylpyrazolo[1,5-a]pyridine-2,3-dicarboxylate?
The IUPAC name of dimethyl 7-bromo-5-methylpyrazolo[1,5-a]pyridine-2,3-dicarboxylate (CID 165134241) is dimethyl 7-bromo-5-methylpyrazolo[1,5-a]pyridine-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 7-bromo-5-methylpyrazolo[1,5-a]pyridine-2,3-dicarboxylate?
The canonical SMILES for dimethyl 7-bromo-5-methylpyrazolo[1,5-a]pyridine-2,3-dicarboxylate is COC(=O)c1nn2c(Br)cc(C)cc2c1C(=O)OC.
What is the InChIKey of dimethyl 7-bromo-5-methylpyrazolo[1,5-a]pyridine-2,3-dicarboxylate?
The InChIKey is KGKBBFKPGCXBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O4/c1-6-4-7-9(11(16)18-2)10(12(17)19-3)14-15(7)8(13)5-6/h4-5H,1-3H3.
What are the key properties of dimethyl 7-bromo-5-methylpyrazolo[1,5-a]pyridine-2,3-dicarboxylate?
dimethyl 7-bromo-5-methylpyrazolo[1,5-a]pyridine-2,3-dicarboxylate has a molecular weight of 327.13 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 7-bromo-5-methylpyrazolo[1,5-a]pyridine-2,3-dicarboxylate is sourced from PubChem (CID 165134241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).