(2,3-diaminophenyl)-phenylphosphinic acid

C12H13N2O2P — CID 150816476

IUPAC(2,3-diaminophenyl)-phenylphosphinic acid
SMILESNc1cccc(P(=O)(O)c2ccccc2)c1N
InChIInChI=1S/C12H13N2O2P/c13-10-7-4-8-11(12(10)14)17(15,16)9-5-2-1-3-6-9/h1-8H,13-14H2,(H,15,16)
InChIKeyKIZIGBTXOZOOIR-UHFFFAOYSA-N
MW248.22 g/mol
LogP1.07
Rot. Bonds2

About (2,3-diaminophenyl)-phenylphosphinic acid

(2,3-diaminophenyl)-phenylphosphinic acid (PubChem CID 150816476) has the molecular formula C12H13N2O2P and a molecular weight of 248.22 g/mol. Its IUPAC name is (2,3-diaminophenyl)-phenylphosphinic acid.

Molecular Properties

Compound Name(2,3-diaminophenyl)-phenylphosphinic acid
PubChem CID150816476
Molecular FormulaC12H13N2O2P
Molecular Weight248.22 g/mol
Exact Mass248.07
IUPAC Name(2,3-diaminophenyl)-phenylphosphinic acid
SMILESNc1cccc(P(=O)(O)c2ccccc2)c1N
InChIInChI=1S/C12H13N2O2P/c13-10-7-4-8-11(12(10)14)17(15,16)9-5-2-1-3-6-9/h1-8H,13-14H2,(H,15,16)
InChIKeyKIZIGBTXOZOOIR-UHFFFAOYSA-N
XLogP1.07
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.22
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-bromophenyl)-phenylphosphinic acid
CID 3066267
(2-aminophenyl)methyl-phenylphosphinic acid
CID 13270423
diphenylphosphinic acid chloride
CID 53401992
[2-[2-[2-[2-[2-[hydroxy(phenyl)phosphoryl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-phenylphosphinic acid
CID 3354156
4-diphenylphosphorylbenzene-1,2,3-triamine
CID 153406708
phenylphosphonamidic acid
CID 18388605
(2-aminophenyl)phosphonic acid;butane
CID 90117924
phenylphosphonic acid;terbium
CID 175289814
CID 66766975
CID 66766975
phenylphosphonic acid;phosphane
CID 157219344
phenylphosphonic acid;bis(1,3,5-triazine-2,4,6-triamine)
CID 172995244
benzene-1,2-diamine;carbonic acid
CID 22256139

Frequently Asked Questions

What is the IUPAC name of (2,3-diaminophenyl)-phenylphosphinic acid?
The IUPAC name of (2,3-diaminophenyl)-phenylphosphinic acid (CID 150816476) is (2,3-diaminophenyl)-phenylphosphinic acid.
What is the SMILES notation for (2,3-diaminophenyl)-phenylphosphinic acid?
The canonical SMILES for (2,3-diaminophenyl)-phenylphosphinic acid is Nc1cccc(P(=O)(O)c2ccccc2)c1N.
What is the InChIKey of (2,3-diaminophenyl)-phenylphosphinic acid?
The InChIKey is KIZIGBTXOZOOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N2O2P/c13-10-7-4-8-11(12(10)14)17(15,16)9-5-2-1-3-6-9/h1-8H,13-14H2,(H,15,16).
What are the key properties of (2,3-diaminophenyl)-phenylphosphinic acid?
(2,3-diaminophenyl)-phenylphosphinic acid has a molecular weight of 248.22 g/mol, XLogP of 1.07, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diaminophenyl)-phenylphosphinic acid is sourced from PubChem (CID 150816476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).