2-pyrazolo[4,3-b]pyridin-2-ylacetic acid;dihydrochloride

C8H9Cl2N3O2 — CID 136575559

IUPAC2-pyrazolo[4,3-b]pyridin-2-ylacetic acid;dihydrochloride
SMILESCl.Cl.O=C(O)Cn1cc2ncccc2n1
InChIInChI=1S/C8H7N3O2.2ClH/c12-8(13)5-11-4-7-6(10-11)2-1-3-9-7;;/h1-4H,5H2,(H,12,13);2*1H
InChIKeyOCWIFZNPBVOWTI-UHFFFAOYSA-N
MW250.09 g/mol
LogP1.36
Rot. Bonds2

About 2-pyrazolo[4,3-b]pyridin-2-ylacetic acid;dihydrochloride

2-pyrazolo[4,3-b]pyridin-2-ylacetic acid;dihydrochloride (PubChem CID 136575559) has the molecular formula C8H9Cl2N3O2 and a molecular weight of 250.09 g/mol. Its IUPAC name is 2-pyrazolo[4,3-b]pyridin-2-ylacetic acid;dihydrochloride.

Molecular Properties

Compound Name2-pyrazolo[4,3-b]pyridin-2-ylacetic acid;dihydrochloride
PubChem CID136575559
Molecular FormulaC8H9Cl2N3O2
Molecular Weight250.09 g/mol
Exact Mass249.01
IUPAC Name2-pyrazolo[4,3-b]pyridin-2-ylacetic acid;dihydrochloride
SMILESCl.Cl.O=C(O)Cn1cc2ncccc2n1
InChIInChI=1S/C8H7N3O2.2ClH/c12-8(13)5-11-4-7-6(10-11)2-1-3-9-7;;/h1-4H,5H2,(H,12,13);2*1H
InChIKeyOCWIFZNPBVOWTI-UHFFFAOYSA-N
XLogP1.36
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.09
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyrazolo[4,3-b]pyridin-2-ylethanone
CID 167923541
2-(5-aminoindazol-2-yl)acetic acid
CID 122637062
2-phenylpyrazolo[4,3-b]pyridine
CID 118393811
2-[4-(benzimidazol-1-ylmethyl)triazol-1-yl]acetic acid
CID 167778646
2-[4-[methyl(pyridin-2-yl)carbamoyl]triazol-1-yl]acetic acid
CID 66291027
2-[4-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115457376
2-(3-pyridin-3-yl-1,2,4-triazol-1-yl)acetic acid
CID 82282721
carbonic acid;quinoline
CID 23206844
2-(7-fluoroindazol-2-yl)acetic acid
CID 83397789
2-aminoacetic acid;quinoxaline
CID 174689994
2-(3-aminopyrazol-1-yl)acetic acid;hydrochloride
CID 68584294
2-(3-iodo-4-methylpyrazol-1-yl)acetic acid
CID 79787345

Frequently Asked Questions

What is the IUPAC name of 2-pyrazolo[4,3-b]pyridin-2-ylacetic acid;dihydrochloride?
The IUPAC name of 2-pyrazolo[4,3-b]pyridin-2-ylacetic acid;dihydrochloride (CID 136575559) is 2-pyrazolo[4,3-b]pyridin-2-ylacetic acid;dihydrochloride.
What is the SMILES notation for 2-pyrazolo[4,3-b]pyridin-2-ylacetic acid;dihydrochloride?
The canonical SMILES for 2-pyrazolo[4,3-b]pyridin-2-ylacetic acid;dihydrochloride is Cl.Cl.O=C(O)Cn1cc2ncccc2n1.
What is the InChIKey of 2-pyrazolo[4,3-b]pyridin-2-ylacetic acid;dihydrochloride?
The InChIKey is OCWIFZNPBVOWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2.2ClH/c12-8(13)5-11-4-7-6(10-11)2-1-3-9-7;;/h1-4H,5H2,(H,12,13);2*1H.
What are the key properties of 2-pyrazolo[4,3-b]pyridin-2-ylacetic acid;dihydrochloride?
2-pyrazolo[4,3-b]pyridin-2-ylacetic acid;dihydrochloride has a molecular weight of 250.09 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazolo[4,3-b]pyridin-2-ylacetic acid;dihydrochloride is sourced from PubChem (CID 136575559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).