[4-[(4-oxo-5H-pyrazolo[4,5-c]pyridin-1-yl)methyl]phenyl]phosphonic acid

C13H12N3O4P — CID 155195374

IUPAC[4-[(4-oxo-5H-pyrazolo[4,5-c]pyridin-1-yl)methyl]phenyl]phosphonic acid
SMILESO=c1[nH]ccc2c1cnn2Cc1ccc(P(=O)(O)O)cc1
InChIInChI=1S/C13H12N3O4P/c17-13-11-7-15-16(12(11)5-6-14-13)8-9-1-3-10(4-2-9)21(18,19)20/h1-7H,8H2,(H,14,17)(H2,18,19,20)
InChIKeyYQZOVMNCHZSTOW-UHFFFAOYSA-N
MW305.23 g/mol
LogP0.58
Rot. Bonds3

About [4-[(4-oxo-5H-pyrazolo[4,5-c]pyridin-1-yl)methyl]phenyl]phosphonic acid

[4-[(4-oxo-5H-pyrazolo[4,5-c]pyridin-1-yl)methyl]phenyl]phosphonic acid (PubChem CID 155195374) has the molecular formula C13H12N3O4P and a molecular weight of 305.23 g/mol. Its IUPAC name is [4-[(4-oxo-5H-pyrazolo[4,5-c]pyridin-1-yl)methyl]phenyl]phosphonic acid.

Molecular Properties

Compound Name[4-[(4-oxo-5H-pyrazolo[4,5-c]pyridin-1-yl)methyl]phenyl]phosphonic acid
PubChem CID155195374
Molecular FormulaC13H12N3O4P
Molecular Weight305.23 g/mol
Exact Mass305.06
IUPAC Name[4-[(4-oxo-5H-pyrazolo[4,5-c]pyridin-1-yl)methyl]phenyl]phosphonic acid
SMILESO=c1[nH]ccc2c1cnn2Cc1ccc(P(=O)(O)O)cc1
InChIInChI=1S/C13H12N3O4P/c17-13-11-7-15-16(12(11)5-6-14-13)8-9-1-3-10(4-2-9)21(18,19)20/h1-7H,8H2,(H,14,17)(H2,18,19,20)
InChIKeyYQZOVMNCHZSTOW-UHFFFAOYSA-N
XLogP0.58
TPSA108.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.23
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-oxo-5H-pyrazolo[4,5-c]pyridin-1-yl)methyl]phenyl]phosphonic acid?
The IUPAC name of [4-[(4-oxo-5H-pyrazolo[4,5-c]pyridin-1-yl)methyl]phenyl]phosphonic acid (CID 155195374) is [4-[(4-oxo-5H-pyrazolo[4,5-c]pyridin-1-yl)methyl]phenyl]phosphonic acid.
What is the SMILES notation for [4-[(4-oxo-5H-pyrazolo[4,5-c]pyridin-1-yl)methyl]phenyl]phosphonic acid?
The canonical SMILES for [4-[(4-oxo-5H-pyrazolo[4,5-c]pyridin-1-yl)methyl]phenyl]phosphonic acid is O=c1[nH]ccc2c1cnn2Cc1ccc(P(=O)(O)O)cc1.
What is the InChIKey of [4-[(4-oxo-5H-pyrazolo[4,5-c]pyridin-1-yl)methyl]phenyl]phosphonic acid?
The InChIKey is YQZOVMNCHZSTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N3O4P/c17-13-11-7-15-16(12(11)5-6-14-13)8-9-1-3-10(4-2-9)21(18,19)20/h1-7H,8H2,(H,14,17)(H2,18,19,20).
What are the key properties of [4-[(4-oxo-5H-pyrazolo[4,5-c]pyridin-1-yl)methyl]phenyl]phosphonic acid?
[4-[(4-oxo-5H-pyrazolo[4,5-c]pyridin-1-yl)methyl]phenyl]phosphonic acid has a molecular weight of 305.23 g/mol, XLogP of 0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-oxo-5H-pyrazolo[4,5-c]pyridin-1-yl)methyl]phenyl]phosphonic acid is sourced from PubChem (CID 155195374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).