[[(4-phenyl-2-pyridinyl)amino]-phosphonomethyl]phosphonic acid

C12H14N2O6P2 — CID 54669881

IUPAC[[(4-phenyl-2-pyridinyl)amino]-phosphonomethyl]phosphonic acid
SMILESO=P(O)(O)C(Nc1cc(-c2ccccc2)ccn1)P(=O)(O)O
InChIInChI=1S/C12H14N2O6P2/c15-21(16,17)12(22(18,19)20)14-11-8-10(6-7-13-11)9-4-2-1-3-5-9/h1-8,12H,(H,13,14)(H2,15,16,17)(H2,18,19,20)
InChIKeyILDQYPKLOXAUMC-UHFFFAOYSA-N
MW344.20 g/mol
LogP1.80
Rot. Bonds5

About [[(4-phenyl-2-pyridinyl)amino]-phosphonomethyl]phosphonic acid

[[(4-phenyl-2-pyridinyl)amino]-phosphonomethyl]phosphonic acid (PubChem CID 54669881) has the molecular formula C12H14N2O6P2 and a molecular weight of 344.20 g/mol. Its IUPAC name is [[(4-phenyl-2-pyridinyl)amino]-phosphonomethyl]phosphonic acid.

Molecular Properties

Compound Name[[(4-phenyl-2-pyridinyl)amino]-phosphonomethyl]phosphonic acid
PubChem CID54669881
Molecular FormulaC12H14N2O6P2
Molecular Weight344.20 g/mol
Exact Mass344.03
IUPAC Name[[(4-phenyl-2-pyridinyl)amino]-phosphonomethyl]phosphonic acid
SMILESO=P(O)(O)C(Nc1cc(-c2ccccc2)ccn1)P(=O)(O)O
InChIInChI=1S/C12H14N2O6P2/c15-21(16,17)12(22(18,19)20)14-11-8-10(6-7-13-11)9-4-2-1-3-5-9/h1-8,12H,(H,13,14)(H2,15,16,17)(H2,18,19,20)
InChIKeyILDQYPKLOXAUMC-UHFFFAOYSA-N
XLogP1.80
TPSA139.98 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 51.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[[[4-[3-(fluoromethyl)phenyl]-2-pyridinyl]amino]-phosphonomethyl]phosphonic acid
CID 90360265
[phosphono-[(4-thiophen-3-yl-2-pyridinyl)amino]methyl]phosphonic acid
CID 54673852
[(3-phenylanilino)-phosphonomethyl]phosphonic acid
CID 5277466
[[(4-decyl-2-pyridinyl)amino]-phosphonomethyl]phosphonic acid
CID 135220945
[[(4-phenyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid
CID 19992029
osmium(2+);bis(4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine)
CID 159449942
N-[4-(4-cyanophenyl)-2-pyridinyl]benzamide
CID 155673932
[[[5-(2-phenylethenyl)-1,2-oxazol-3-yl]amino]-phosphonomethyl]phosphonic acid
CID 88520862
N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]benzamide
CID 67153787
iodomethane;2-methyl-4-phenylpyridine
CID 143719183
methyl 4-(4-phenylphenyl)pyridine-2-carboxylate
CID 70853401
[[[4-(3,3a,4,5,6,7-hexahydroindazol-2-yl)-2-pyridinyl]amino]-phosphonomethyl]phosphonic acid
CID 170377288

Frequently Asked Questions

What is the IUPAC name of [[(4-phenyl-2-pyridinyl)amino]-phosphonomethyl]phosphonic acid?
The IUPAC name of [[(4-phenyl-2-pyridinyl)amino]-phosphonomethyl]phosphonic acid (CID 54669881) is [[(4-phenyl-2-pyridinyl)amino]-phosphonomethyl]phosphonic acid.
What is the SMILES notation for [[(4-phenyl-2-pyridinyl)amino]-phosphonomethyl]phosphonic acid?
The canonical SMILES for [[(4-phenyl-2-pyridinyl)amino]-phosphonomethyl]phosphonic acid is O=P(O)(O)C(Nc1cc(-c2ccccc2)ccn1)P(=O)(O)O.
What is the InChIKey of [[(4-phenyl-2-pyridinyl)amino]-phosphonomethyl]phosphonic acid?
The InChIKey is ILDQYPKLOXAUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O6P2/c15-21(16,17)12(22(18,19)20)14-11-8-10(6-7-13-11)9-4-2-1-3-5-9/h1-8,12H,(H,13,14)(H2,15,16,17)(H2,18,19,20).
What are the key properties of [[(4-phenyl-2-pyridinyl)amino]-phosphonomethyl]phosphonic acid?
[[(4-phenyl-2-pyridinyl)amino]-phosphonomethyl]phosphonic acid has a molecular weight of 344.20 g/mol, XLogP of 1.80, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[(4-phenyl-2-pyridinyl)amino]-phosphonomethyl]phosphonic acid is sourced from PubChem (CID 54669881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).