methyl 2-bromopyrazolo[1,5-a]pyridine-3-carboxylate

C9H7BrN2O2 — CID 131527386

IUPACmethyl 2-bromopyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1c(Br)nn2ccccc12
InChIInChI=1S/C9H7BrN2O2/c1-14-9(13)7-6-4-2-3-5-12(6)11-8(7)10/h2-5H,1H3
InChIKeyLVFXYQUZVHOJLS-UHFFFAOYSA-N
MW255.07 g/mol
LogP1.88
Rot. Bonds1

About methyl 2-bromopyrazolo[1,5-a]pyridine-3-carboxylate

methyl 2-bromopyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 131527386) has the molecular formula C9H7BrN2O2 and a molecular weight of 255.07 g/mol. Its IUPAC name is methyl 2-bromopyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-bromopyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID131527386
Molecular FormulaC9H7BrN2O2
Molecular Weight255.07 g/mol
Exact Mass253.97
IUPAC Namemethyl 2-bromopyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1c(Br)nn2ccccc12
InChIInChI=1S/C9H7BrN2O2/c1-14-9(13)7-6-4-2-3-5-12(6)11-8(7)10/h2-5H,1H3
InChIKeyLVFXYQUZVHOJLS-UHFFFAOYSA-N
XLogP1.88
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-pyridin-2-ylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 70895318
methyl 2-(pyridin-2-ylcarbamoylamino)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 134838585
diethyl pyrazolo[1,5-a]pyridine-2,3-dicarboxylate
CID 53487001
N,2-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 12872291
ethyl 2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 144559581
2-bromopyrazolo[1,5-a]pyridine-3-carbaldehyde
CID 105482731
methyl 2-(4-bromophenyl)-3-methylindolizine-1-carboxylate
CID 102142816
2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 134858884
dimethyl 2,6-dimethyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 14303269
(2-benzoylpyrazolo[1,5-a]pyridin-3-yl)-phenylmethanone
CID 12580242
methyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate;dihydrobromide
CID 75531045
(3,5-dibromo-4-hydroxyphenyl)-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)methanone
CID 134535486

Frequently Asked Questions

What is the IUPAC name of methyl 2-bromopyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of methyl 2-bromopyrazolo[1,5-a]pyridine-3-carboxylate (CID 131527386) is methyl 2-bromopyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-bromopyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-bromopyrazolo[1,5-a]pyridine-3-carboxylate is COC(=O)c1c(Br)nn2ccccc12.
What is the InChIKey of methyl 2-bromopyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is LVFXYQUZVHOJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2/c1-14-9(13)7-6-4-2-3-5-12(6)11-8(7)10/h2-5H,1H3.
What are the key properties of methyl 2-bromopyrazolo[1,5-a]pyridine-3-carboxylate?
methyl 2-bromopyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 255.07 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-bromopyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 131527386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).