[5-(2-fluorophenyl)-2-pyridinyl]methylphosphonous acid

C12H11FNO2P — CID 71154994

IUPAC[5-(2-fluorophenyl)-2-pyridinyl]methylphosphonous acid
SMILESOP(O)Cc1ccc(-c2ccccc2F)cn1
InChIInChI=1S/C12H11FNO2P/c13-12-4-2-1-3-11(12)9-5-6-10(14-7-9)8-17(15)16/h1-7,15-16H,8H2
InChIKeyPEOVTIABIZJKBY-UHFFFAOYSA-N
MW251.20 g/mol
LogP2.68
Rot. Bonds3

About [5-(2-fluorophenyl)-2-pyridinyl]methylphosphonous acid

[5-(2-fluorophenyl)-2-pyridinyl]methylphosphonous acid (PubChem CID 71154994) has the molecular formula C12H11FNO2P and a molecular weight of 251.20 g/mol. Its IUPAC name is [5-(2-fluorophenyl)-2-pyridinyl]methylphosphonous acid.

Molecular Properties

Compound Name[5-(2-fluorophenyl)-2-pyridinyl]methylphosphonous acid
PubChem CID71154994
Molecular FormulaC12H11FNO2P
Molecular Weight251.20 g/mol
Exact Mass251.05
IUPAC Name[5-(2-fluorophenyl)-2-pyridinyl]methylphosphonous acid
SMILESOP(O)Cc1ccc(-c2ccccc2F)cn1
InChIInChI=1S/C12H11FNO2P/c13-12-4-2-1-3-11(12)9-5-6-10(14-7-9)8-17(15)16/h1-7,15-16H,8H2
InChIKeyPEOVTIABIZJKBY-UHFFFAOYSA-N
XLogP2.68
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 52.68
H-Bond Donors ≤ 52
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 [5-(2-fluorophenyl)-2-pyridinyl]methylphosphonous acid?
The IUPAC name of [5-(2-fluorophenyl)-2-pyridinyl]methylphosphonous acid (CID 71154994) is [5-(2-fluorophenyl)-2-pyridinyl]methylphosphonous acid.
What is the SMILES notation for [5-(2-fluorophenyl)-2-pyridinyl]methylphosphonous acid?
The canonical SMILES for [5-(2-fluorophenyl)-2-pyridinyl]methylphosphonous acid is OP(O)Cc1ccc(-c2ccccc2F)cn1.
What is the InChIKey of [5-(2-fluorophenyl)-2-pyridinyl]methylphosphonous acid?
The InChIKey is PEOVTIABIZJKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FNO2P/c13-12-4-2-1-3-11(12)9-5-6-10(14-7-9)8-17(15)16/h1-7,15-16H,8H2.
What are the key properties of [5-(2-fluorophenyl)-2-pyridinyl]methylphosphonous acid?
[5-(2-fluorophenyl)-2-pyridinyl]methylphosphonous acid has a molecular weight of 251.20 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)-2-pyridinyl]methylphosphonous acid is sourced from PubChem (CID 71154994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).