[[(6-Methylpyridin-2-yl)amino]-phosphonomethyl]phosphonic acid

HCID 405380

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Basic information

CAS: 70010-79-6
Standard SMILES: Cc1cccc(NC(P(=O)(O)O)P(=O)(O)O)n1
InChIKey: PUHGLMILUJLANU-UHFFFAOYSA-N
Molecular formula: C7H12N2O6P2
Average molar mass: 282.13 g/mol
Monoisotopic mass: 282.0170601

Names & identifiers

Preferred name: [[(6-Methylpyridin-2-yl)amino]-phosphonomethyl]phosphonic acid
IUPAC: [[(6-methyl-2-pyridinyl)amino]-phosphonomethyl]phosphonic acid

Names & synonyms

70010-79-6CHEMBL55959[[(6-methyl-2-pyridinyl)amino]methylene]-1,1-bisphosphonate[[(6-methylpyridin-2-yl)amino]-phosphonomethyl]phosphonic acidNSC722609SCHEMBL8166167DTXSID10328065BDBM50135832NSC-722609(6-methylpyridin-2-ylamino)methylenediphosphonic acid{[(6-Methylpyridin-2-yl)amino]methylene}bis(phosphonic acid)[(6-Methyl-pyridin-2-ylamino)-phosphono-methyl]-phosphonic acid

Database identifiers

CAS: 70010-79-6
PubChem CID: 405380
DTXSID: DTXSID10328065
ChEMBL: CHEMBL55959
Nikkaji: J805.474F

Properties

Computed structural properties

XLogP: -1.8
Topological polar surface area: 140 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 8
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 330

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