1-(3-bromophenyl)-5-fluoropyrazolo[5,4-b]pyridine-3-carboxylic acid

C13H7BrFN3O2 — CID 141444874

IUPAC1-(3-bromophenyl)-5-fluoropyrazolo[5,4-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1nn(-c2cccc(Br)c2)c2ncc(F)cc12
InChIInChI=1S/C13H7BrFN3O2/c14-7-2-1-3-9(4-7)18-12-10(5-8(15)6-16-12)11(17-18)13(19)20/h1-6H,(H,19,20)
InChIKeyJUMKIXGRONESQG-UHFFFAOYSA-N
MW336.12 g/mol
LogP3.02
Rot. Bonds2

About 1-(3-bromophenyl)-5-fluoropyrazolo[5,4-b]pyridine-3-carboxylic acid

1-(3-bromophenyl)-5-fluoropyrazolo[5,4-b]pyridine-3-carboxylic acid (PubChem CID 141444874) has the molecular formula C13H7BrFN3O2 and a molecular weight of 336.12 g/mol. Its IUPAC name is 1-(3-bromophenyl)-5-fluoropyrazolo[5,4-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-bromophenyl)-5-fluoropyrazolo[5,4-b]pyridine-3-carboxylic acid
PubChem CID141444874
Molecular FormulaC13H7BrFN3O2
Molecular Weight336.12 g/mol
Exact Mass334.97
IUPAC Name1-(3-bromophenyl)-5-fluoropyrazolo[5,4-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1nn(-c2cccc(Br)c2)c2ncc(F)cc12
InChIInChI=1S/C13H7BrFN3O2/c14-7-2-1-3-9(4-7)18-12-10(5-8(15)6-16-12)11(17-18)13(19)20/h1-6H,(H,19,20)
InChIKeyJUMKIXGRONESQG-UHFFFAOYSA-N
XLogP3.02
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.12
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(4-Fluorophenyl)pyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 4775471
3-Bromo-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 807578
6-(4-Bromophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600248
4-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)benzoic acid
CID 164611950
3-Bromo-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 1068452
1-ethyl-6-phenyl-1H-pyrazolo(3,4-b)pyridine-4-carboxylic acid
CID 16227432
3-Ethoxycarbonyl-1-(2-fluorbenzyl)-1H-pyrazolo-(3,4,5)-pyridin
CID 11162345
ethyl 5-fluoro-1-(2-fluorobenzyl)-1H-pyrazolo(3,4-b)pyridine-3-carboxylate
CID 56849011
4-(3-Bromoanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 44561668
6-Ethenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 71601063
4-(4-Bromophenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 57328410
1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
CID 14140174

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-5-fluoropyrazolo[5,4-b]pyridine-3-carboxylic acid?
The IUPAC name of 1-(3-bromophenyl)-5-fluoropyrazolo[5,4-b]pyridine-3-carboxylic acid (CID 141444874) is 1-(3-bromophenyl)-5-fluoropyrazolo[5,4-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-(3-bromophenyl)-5-fluoropyrazolo[5,4-b]pyridine-3-carboxylic acid?
The canonical SMILES for 1-(3-bromophenyl)-5-fluoropyrazolo[5,4-b]pyridine-3-carboxylic acid is O=C(O)c1nn(-c2cccc(Br)c2)c2ncc(F)cc12.
What is the InChIKey of 1-(3-bromophenyl)-5-fluoropyrazolo[5,4-b]pyridine-3-carboxylic acid?
The InChIKey is JUMKIXGRONESQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrFN3O2/c14-7-2-1-3-9(4-7)18-12-10(5-8(15)6-16-12)11(17-18)13(19)20/h1-6H,(H,19,20).
What are the key properties of 1-(3-bromophenyl)-5-fluoropyrazolo[5,4-b]pyridine-3-carboxylic acid?
1-(3-bromophenyl)-5-fluoropyrazolo[5,4-b]pyridine-3-carboxylic acid has a molecular weight of 336.12 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-5-fluoropyrazolo[5,4-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 141444874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).