(3,5-Dimethylpyridin-4-yl)phosphonic acid

HCID 323980

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Basic information

CAS: 58816-03-8
Standard SMILES: Cc1cncc(C)c1P(=O)(O)O
InChIKey: ZIISURSPDUJINV-UHFFFAOYSA-N
Molecular formula: C7H10NO3P
Average molar mass: 187.13 g/mol
Monoisotopic mass: 187.03983018

Names & identifiers

Preferred name: (3,5-Dimethylpyridin-4-yl)phosphonic acid
IUPAC: (3,5-dimethyl-4-pyridinyl)phosphonic acid

Names & synonyms

58816-03-8(3,5-dimethylpyridin-4-yl)phosphonic acidNSC287473SCHEMBL11478043DTXSID40314698NSC-287473Phosphonic acid,5-dimethyl-4-pyridinyl)-(3,5-Dimethyl-pyridin-4-yl)-phosphonic acid

Database identifiers

CAS: 58816-03-8
PubChem CID: 323980
DTXSID: DTXSID40314698

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 70.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 193

Experimental & physicochemical properties

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