ethyl 6-bromo-4-fluoropyrazolo[1,5-a]pyridine-3-carboxylate

C10H8BrFN2O2 — CID 131697608

IUPACethyl 6-bromo-4-fluoropyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2cc(Br)cc(F)c12
InChIInChI=1S/C10H8BrFN2O2/c1-2-16-10(15)7-4-13-14-5-6(11)3-8(12)9(7)14/h3-5H,2H2,1H3
InChIKeyFNTMKBPXHVYVSY-UHFFFAOYSA-N
MW287.09 g/mol
LogP2.41
Rot. Bonds2

About ethyl 6-bromo-4-fluoropyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 6-bromo-4-fluoropyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 131697608) has the molecular formula C10H8BrFN2O2 and a molecular weight of 287.09 g/mol. Its IUPAC name is ethyl 6-bromo-4-fluoropyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-4-fluoropyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID131697608
Molecular FormulaC10H8BrFN2O2
Molecular Weight287.09 g/mol
Exact Mass285.98
IUPAC Nameethyl 6-bromo-4-fluoropyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2cc(Br)cc(F)c12
InChIInChI=1S/C10H8BrFN2O2/c1-2-16-10(15)7-4-13-14-5-6(11)3-8(12)9(7)14/h3-5H,2H2,1H3
InChIKeyFNTMKBPXHVYVSY-UHFFFAOYSA-N
XLogP2.41
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.09
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 45073325
ethyl 5-amino-4-bromopyrazolo[1,5-a]pyridine-3-carboxylate
CID 146160563
ethyl 6-bromo-5-chloropyrazolo[1,5-a]pyridine-3-carboxylate
CID 169163079
ethyl 5-bromo-2-fluorobenzoate
CID 21113016
ethyl 5-bromo-1-(4-bromophenyl)pyrazole-4-carboxylate
CID 53429357
ethyl 5-bromo-2,4-difluorobenzoate
CID 79018456
ethyl 2,5-dibromo-4-fluorobenzoate
CID 79016537
diethyl 4,6-dibromopyrazolo[1,5-a]pyridine-2,3-dicarboxylate
CID 118286898
ethyl 2,5-dibromopyridine-3-carboxylate
CID 46311328
ethyl 1-(3-chloro-4-fluorophenyl)-5-methylpyrazole-4-carboxylate
CID 83401193
ethyl 5-bromo-3-fluoro-2-nitrobenzoate
CID 134633551
ethyl 2-amino-5-(4-bromopyrazol-1-yl)benzoate
CID 61312078

Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-4-fluoropyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-bromo-4-fluoropyrazolo[1,5-a]pyridine-3-carboxylate (CID 131697608) is ethyl 6-bromo-4-fluoropyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-bromo-4-fluoropyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-bromo-4-fluoropyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1cnn2cc(Br)cc(F)c12.
What is the InChIKey of ethyl 6-bromo-4-fluoropyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is FNTMKBPXHVYVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O2/c1-2-16-10(15)7-4-13-14-5-6(11)3-8(12)9(7)14/h3-5H,2H2,1H3.
What are the key properties of ethyl 6-bromo-4-fluoropyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 6-bromo-4-fluoropyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 287.09 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-4-fluoropyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 131697608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).