[dichloro(phosphono)methyl]phosphonic acid

CH4Cl2O6P2 — CID 25419

💊View drug profile → clodronic acid
IUPAC[dichloro(phosphono)methyl]phosphonic acid
SMILESO=P(O)(O)C(Cl)(Cl)P(=O)(O)O
InChIInChI=1S/CH4Cl2O6P2/c2-1(3,10(4,5)6)11(7,8)9/h(H2,4,5,6)(H2,7,8,9)
InChIKeyACSIXWWBWUQEHA-UHFFFAOYSA-N
MW244.89 g/mol
LogP0.43
Rot. Bonds2

About [dichloro(phosphono)methyl]phosphonic acid

[dichloro(phosphono)methyl]phosphonic acid (PubChem CID 25419) has the molecular formula CH4Cl2O6P2 and a molecular weight of 244.89 g/mol. Its IUPAC name is [dichloro(phosphono)methyl]phosphonic acid.

Molecular Properties

Compound Name[dichloro(phosphono)methyl]phosphonic acid
PubChem CID25419
Molecular FormulaCH4Cl2O6P2
Molecular Weight244.89 g/mol
Exact Mass243.89
IUPAC Name[dichloro(phosphono)methyl]phosphonic acid
SMILESO=P(O)(O)C(Cl)(Cl)P(=O)(O)O
InChIInChI=1S/CH4Cl2O6P2/c2-1(3,10(4,5)6)11(7,8)9/h(H2,4,5,6)(H2,7,8,9)
InChIKeyACSIXWWBWUQEHA-UHFFFAOYSA-N
XLogP0.43
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.89
LogP ≤ 50.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [dichloro(phosphono)methyl]phosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[dichloro(phosphono)methyl]phosphonic acid;methanamine
CID 172784939
disodium;[dichloro-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate;hydrate
CID 140533737
(2-chloro-1,1,2,2-tetrafluoroethyl)phosphonic acid
CID 163324645
sodium;hydride;molecular hydrogen;phosphoric acid
CID 173211167
triphosphonomethylphosphonic acid
CID 23341767
[dichloro(dibutoxyphosphoryl)methyl]phosphonic acid
CID 54482610
[dichloro-[cyclohexyloxy(hydroxy)phosphoryl]methyl]phosphonic acid
CID 54148021
sodium;hydride;phosphoric acid
CID 173151585
sodium;hydride;phosphoric acid
CID 3084021
hexasodium;phosphoric acid;hexafluoride
CID 173078700
dipotassium;trisodium;phosphoric acid
CID 175728494
trisodium;hydride;phosphoric acid
CID 173046731

Frequently Asked Questions

What is the IUPAC name of [dichloro(phosphono)methyl]phosphonic acid?
The IUPAC name of [dichloro(phosphono)methyl]phosphonic acid (CID 25419) is [dichloro(phosphono)methyl]phosphonic acid.
What is the SMILES notation for [dichloro(phosphono)methyl]phosphonic acid?
The canonical SMILES for [dichloro(phosphono)methyl]phosphonic acid is O=P(O)(O)C(Cl)(Cl)P(=O)(O)O.
What is the InChIKey of [dichloro(phosphono)methyl]phosphonic acid?
The InChIKey is ACSIXWWBWUQEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4Cl2O6P2/c2-1(3,10(4,5)6)11(7,8)9/h(H2,4,5,6)(H2,7,8,9).
What are the key properties of [dichloro(phosphono)methyl]phosphonic acid?
[dichloro(phosphono)methyl]phosphonic acid has a molecular weight of 244.89 g/mol, XLogP of 0.43, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [dichloro(phosphono)methyl]phosphonic acid is sourced from PubChem (CID 25419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).