methyl 6-bromopyrazolo[1,5-a]pyridine-4-carboxylate

C9H7BrN2O2 — CID 168948261

IUPACmethyl 6-bromopyrazolo[1,5-a]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(Br)cn2nccc12
InChIInChI=1S/C9H7BrN2O2/c1-14-9(13)7-4-6(10)5-12-8(7)2-3-11-12/h2-5H,1H3
InChIKeyJVHNPDVZSIKTFX-UHFFFAOYSA-N
MW255.07 g/mol
LogP1.88
Rot. Bonds1

About methyl 6-bromopyrazolo[1,5-a]pyridine-4-carboxylate

methyl 6-bromopyrazolo[1,5-a]pyridine-4-carboxylate (PubChem CID 168948261) has the molecular formula C9H7BrN2O2 and a molecular weight of 255.07 g/mol. Its IUPAC name is methyl 6-bromopyrazolo[1,5-a]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromopyrazolo[1,5-a]pyridine-4-carboxylate
PubChem CID168948261
Molecular FormulaC9H7BrN2O2
Molecular Weight255.07 g/mol
Exact Mass253.97
IUPAC Namemethyl 6-bromopyrazolo[1,5-a]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(Br)cn2nccc12
InChIInChI=1S/C9H7BrN2O2/c1-14-9(13)7-4-6(10)5-12-8(7)2-3-11-12/h2-5H,1H3
InChIKeyJVHNPDVZSIKTFX-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-amino-6-bromo-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82555209
methyl 5-methylpyrazolo[1,5-a]pyridine-6-carboxylate
CID 130065779
(6-bromopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate
CID 135193451
methyl 6-fluoropyrazolo[1,5-a]pyridine-3-carboxylate
CID 91825806
methyl 6-alumanylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 154561873
methyl imidazo[1,2-b]pyridazine-8-carboxylate
CID 141364137
methyl 6-bromo-3-formylimidazo[1,2-a]pyridine-8-carboxylate
CID 131377489
methyl 7-bromo-6-(methoxymethyl)pyrrolo[1,2-b]pyridazine-4-carboxylate
CID 172615428
methyl 1-benzyl-5-bromo-2-oxopyridine-3-carboxylate
CID 126648415
methyl 5-bromo-2-oxo-1-(3-trimethylsilylprop-2-ynyl)pyridine-3-carboxylate
CID 170948677
methyl 5-bromo-1-(3-methylphenyl)-2-oxopyridine-3-carboxylate
CID 165416841
methyl 2-amino-5-bromobenzoate;hydrobromide
CID 162716594

Frequently Asked Questions

What is the IUPAC name of methyl 6-bromopyrazolo[1,5-a]pyridine-4-carboxylate?
The IUPAC name of methyl 6-bromopyrazolo[1,5-a]pyridine-4-carboxylate (CID 168948261) is methyl 6-bromopyrazolo[1,5-a]pyridine-4-carboxylate.
What is the SMILES notation for methyl 6-bromopyrazolo[1,5-a]pyridine-4-carboxylate?
The canonical SMILES for methyl 6-bromopyrazolo[1,5-a]pyridine-4-carboxylate is COC(=O)c1cc(Br)cn2nccc12.
What is the InChIKey of methyl 6-bromopyrazolo[1,5-a]pyridine-4-carboxylate?
The InChIKey is JVHNPDVZSIKTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2/c1-14-9(13)7-4-6(10)5-12-8(7)2-3-11-12/h2-5H,1H3.
What are the key properties of methyl 6-bromopyrazolo[1,5-a]pyridine-4-carboxylate?
methyl 6-bromopyrazolo[1,5-a]pyridine-4-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 6-bromopyrazolo[1,5-a]pyridine-4-carboxylate is sourced from PubChem (CID 168948261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).