(4-methyl-2-pyridinyl)-phenylphosphinic acid

C12H12NO2P — CID 132597364

IUPAC(4-methyl-2-pyridinyl)-phenylphosphinic acid
SMILESCc1ccnc(P(=O)(O)c2ccccc2)c1
InChIInChI=1S/C12H12NO2P/c1-10-7-8-13-12(9-10)16(14,15)11-5-3-2-4-6-11/h2-9H,1H3,(H,14,15)
InChIKeyKQAUWIQJZQCJFK-UHFFFAOYSA-N
MW233.21 g/mol
LogP1.61
Rot. Bonds2

About (4-methyl-2-pyridinyl)-phenylphosphinic acid

(4-methyl-2-pyridinyl)-phenylphosphinic acid (PubChem CID 132597364) has the molecular formula C12H12NO2P and a molecular weight of 233.21 g/mol. Its IUPAC name is (4-methyl-2-pyridinyl)-phenylphosphinic acid.

Molecular Properties

Compound Name(4-methyl-2-pyridinyl)-phenylphosphinic acid
PubChem CID132597364
Molecular FormulaC12H12NO2P
Molecular Weight233.21 g/mol
Exact Mass233.06
IUPAC Name(4-methyl-2-pyridinyl)-phenylphosphinic acid
SMILESCc1ccnc(P(=O)(O)c2ccccc2)c1
InChIInChI=1S/C12H12NO2P/c1-10-7-8-13-12(9-10)16(14,15)11-5-3-2-4-6-11/h2-9H,1H3,(H,14,15)
InChIKeyKQAUWIQJZQCJFK-UHFFFAOYSA-N
XLogP1.61
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methyl-2-pyridinyl)-phenylphosphinic acid?
The IUPAC name of (4-methyl-2-pyridinyl)-phenylphosphinic acid (CID 132597364) is (4-methyl-2-pyridinyl)-phenylphosphinic acid.
What is the SMILES notation for (4-methyl-2-pyridinyl)-phenylphosphinic acid?
The canonical SMILES for (4-methyl-2-pyridinyl)-phenylphosphinic acid is Cc1ccnc(P(=O)(O)c2ccccc2)c1.
What is the InChIKey of (4-methyl-2-pyridinyl)-phenylphosphinic acid?
The InChIKey is KQAUWIQJZQCJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12NO2P/c1-10-7-8-13-12(9-10)16(14,15)11-5-3-2-4-6-11/h2-9H,1H3,(H,14,15).
What are the key properties of (4-methyl-2-pyridinyl)-phenylphosphinic acid?
(4-methyl-2-pyridinyl)-phenylphosphinic acid has a molecular weight of 233.21 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-pyridinyl)-phenylphosphinic acid is sourced from PubChem (CID 132597364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).