[6-(1H-pyrazol-4-yl)-3-pyridinyl]methylphosphonic acid

C9H10N3O3P — CID 118963702

IUPAC[6-(1H-pyrazol-4-yl)-3-pyridinyl]methylphosphonic acid
SMILESO=P(O)(O)Cc1ccc(-c2cn[nH]c2)nc1
InChIInChI=1S/C9H10N3O3P/c13-16(14,15)6-7-1-2-9(10-3-7)8-4-11-12-5-8/h1-5H,6H2,(H,11,12)(H2,13,14,15)
InChIKeyAAKZKHLAZZAYGW-UHFFFAOYSA-N
MW239.17 g/mol
LogP1.15
Rot. Bonds3

About [6-(1H-pyrazol-4-yl)-3-pyridinyl]methylphosphonic acid

[6-(1H-pyrazol-4-yl)-3-pyridinyl]methylphosphonic acid (PubChem CID 118963702) has the molecular formula C9H10N3O3P and a molecular weight of 239.17 g/mol. Its IUPAC name is [6-(1H-pyrazol-4-yl)-3-pyridinyl]methylphosphonic acid.

Molecular Properties

Compound Name[6-(1H-pyrazol-4-yl)-3-pyridinyl]methylphosphonic acid
PubChem CID118963702
Molecular FormulaC9H10N3O3P
Molecular Weight239.17 g/mol
Exact Mass239.05
IUPAC Name[6-(1H-pyrazol-4-yl)-3-pyridinyl]methylphosphonic acid
SMILESO=P(O)(O)Cc1ccc(-c2cn[nH]c2)nc1
InChIInChI=1S/C9H10N3O3P/c13-16(14,15)6-7-1-2-9(10-3-7)8-4-11-12-5-8/h1-5H,6H2,(H,11,12)(H2,13,14,15)
InChIKeyAAKZKHLAZZAYGW-UHFFFAOYSA-N
XLogP1.15
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.17
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-(1H-pyrazol-4-yl)-3-pyridinyl]methylphosphonic acid?
The IUPAC name of [6-(1H-pyrazol-4-yl)-3-pyridinyl]methylphosphonic acid (CID 118963702) is [6-(1H-pyrazol-4-yl)-3-pyridinyl]methylphosphonic acid.
What is the SMILES notation for [6-(1H-pyrazol-4-yl)-3-pyridinyl]methylphosphonic acid?
The canonical SMILES for [6-(1H-pyrazol-4-yl)-3-pyridinyl]methylphosphonic acid is O=P(O)(O)Cc1ccc(-c2cn[nH]c2)nc1.
What is the InChIKey of [6-(1H-pyrazol-4-yl)-3-pyridinyl]methylphosphonic acid?
The InChIKey is AAKZKHLAZZAYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N3O3P/c13-16(14,15)6-7-1-2-9(10-3-7)8-4-11-12-5-8/h1-5H,6H2,(H,11,12)(H2,13,14,15).
What are the key properties of [6-(1H-pyrazol-4-yl)-3-pyridinyl]methylphosphonic acid?
[6-(1H-pyrazol-4-yl)-3-pyridinyl]methylphosphonic acid has a molecular weight of 239.17 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1H-pyrazol-4-yl)-3-pyridinyl]methylphosphonic acid is sourced from PubChem (CID 118963702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).