[phosphonooxy-(pyridin-2-ylamino)methyl] dihydrogen phosphate

C6H10N2O8P2 — CID 142659423

IUPAC[phosphonooxy-(pyridin-2-ylamino)methyl] dihydrogen phosphate
SMILESO=P(O)(O)OC(Nc1ccccn1)OP(=O)(O)O
InChIInChI=1S/C6H10N2O8P2/c9-17(10,11)15-6(16-18(12,13)14)8-5-3-1-2-4-7-5/h1-4,6H,(H,7,8)(H2,9,10,11)(H2,12,13,14)
InChIKeyOMRFCDIMUDIMOF-UHFFFAOYSA-N
MW300.10 g/mol
LogP-0.00
Rot. Bonds6

About [phosphonooxy-(pyridin-2-ylamino)methyl] dihydrogen phosphate

[phosphonooxy-(pyridin-2-ylamino)methyl] dihydrogen phosphate (PubChem CID 142659423) has the molecular formula C6H10N2O8P2 and a molecular weight of 300.10 g/mol. Its IUPAC name is [phosphonooxy-(pyridin-2-ylamino)methyl] dihydrogen phosphate.

Molecular Properties

Compound Name[phosphonooxy-(pyridin-2-ylamino)methyl] dihydrogen phosphate
PubChem CID142659423
Molecular FormulaC6H10N2O8P2
Molecular Weight300.10 g/mol
Exact Mass299.99
IUPAC Name[phosphonooxy-(pyridin-2-ylamino)methyl] dihydrogen phosphate
SMILESO=P(O)(O)OC(Nc1ccccn1)OP(=O)(O)O
InChIInChI=1S/C6H10N2O8P2/c9-17(10,11)15-6(16-18(12,13)14)8-5-3-1-2-4-7-5/h1-4,6H,(H,7,8)(H2,9,10,11)(H2,12,13,14)
InChIKeyOMRFCDIMUDIMOF-UHFFFAOYSA-N
XLogP-0.00
TPSA158.44 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 5-0.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-(pyridin-2-ylamino)ethanol
CID 20521375
N-[bis(phosphanyl)methyl]pyridin-2-amine
CID 118465849
N-[dimethoxyphosphoryl(phenyl)methyl]pyridin-2-amine
CID 5003492
methyl 3-hydroxy-2-(pyridin-2-ylamino)propanoate
CID 62005676
2,2-bis[di(propan-2-yloxy)phosphoryl]-N-pyridin-2-ylacetamide
CID 54282175
methyl (2S)-2-phenyl-2-(pyridin-2-ylamino)acetate
CID 102268915
2-(pyridin-2-ylamino)propanoic acid;hydrate;dihydrochloride
CID 70348749
N-methyl-2-(pyridin-2-ylamino)propanamide
CID 61464552
2-(carboxymethoxy)-2-(pyridin-2-ylamino)acetic acid
CID 69470783
[6-[hydroxy-(pyridin-2-ylamino)methyl]-2-pyridinyl]-(pyridin-2-ylamino)methanol
CID 54297235
diethyl 2-(pyridin-2-ylamino)butanedioate
CID 177223404
(2R,3S)-2-amino-3-(pyridin-2-ylamino)butanoic acid
CID 118492943

Frequently Asked Questions

What is the IUPAC name of [phosphonooxy-(pyridin-2-ylamino)methyl] dihydrogen phosphate?
The IUPAC name of [phosphonooxy-(pyridin-2-ylamino)methyl] dihydrogen phosphate (CID 142659423) is [phosphonooxy-(pyridin-2-ylamino)methyl] dihydrogen phosphate.
What is the SMILES notation for [phosphonooxy-(pyridin-2-ylamino)methyl] dihydrogen phosphate?
The canonical SMILES for [phosphonooxy-(pyridin-2-ylamino)methyl] dihydrogen phosphate is O=P(O)(O)OC(Nc1ccccn1)OP(=O)(O)O.
What is the InChIKey of [phosphonooxy-(pyridin-2-ylamino)methyl] dihydrogen phosphate?
The InChIKey is OMRFCDIMUDIMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O8P2/c9-17(10,11)15-6(16-18(12,13)14)8-5-3-1-2-4-7-5/h1-4,6H,(H,7,8)(H2,9,10,11)(H2,12,13,14).
What are the key properties of [phosphonooxy-(pyridin-2-ylamino)methyl] dihydrogen phosphate?
[phosphonooxy-(pyridin-2-ylamino)methyl] dihydrogen phosphate has a molecular weight of 300.10 g/mol, XLogP of -0.00, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [phosphonooxy-(pyridin-2-ylamino)methyl] dihydrogen phosphate is sourced from PubChem (CID 142659423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).