(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid;2-(morpholin-4-ylamino)ethanol

C13H25N3O9P2 — CID 11270329

IUPAC(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid;2-(morpholin-4-ylamino)ethanol
SMILESO=P(O)(O)C(O)(Cc1cccnc1)P(=O)(O)O.OCCNN1CCOCC1
InChIInChI=1S/C7H11NO7P2.C6H14N2O2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6;9-4-1-7-8-2-5-10-6-3-8/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15);7,9H,1-6H2
InChIKeyAAXZOIUKTHSUPN-UHFFFAOYSA-N
MW429.30 g/mol
LogP-1.56
Rot. Bonds7

About (1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid;2-(morpholin-4-ylamino)ethanol

(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid;2-(morpholin-4-ylamino)ethanol (PubChem CID 11270329) has the molecular formula C13H25N3O9P2 and a molecular weight of 429.30 g/mol. Its IUPAC name is (1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid;2-(morpholin-4-ylamino)ethanol.

Molecular Properties

Compound Name(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid;2-(morpholin-4-ylamino)ethanol
PubChem CID11270329
Molecular FormulaC13H25N3O9P2
Molecular Weight429.30 g/mol
Exact Mass429.11
IUPAC Name(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid;2-(morpholin-4-ylamino)ethanol
SMILESO=P(O)(O)C(O)(Cc1cccnc1)P(=O)(O)O.OCCNN1CCOCC1
InChIInChI=1S/C7H11NO7P2.C6H14N2O2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6;9-4-1-7-8-2-5-10-6-3-8/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15);7,9H,1-6H2
InChIKeyAAXZOIUKTHSUPN-UHFFFAOYSA-N
XLogP-1.56
TPSA192.91 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.30
LogP ≤ 5-1.56
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

sodium;hydroxy-(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphinate;trihydrate
CID 45114147
N-(2-pyridin-3-ylethyl)morpholine-4-carboxamide
CID 110872249
2-methyl-2-morpholin-4-yl-3-pyridin-3-ylpropanenitrile
CID 82082122
16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11523230
2-methyl-1-(2-morpholin-4-ylethyl)-3-(pyridin-3-ylmethyl)guanidine
CID 111023394
5-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109184765
3-morpholin-4-yl-3-oxo-N-(pyridin-3-ylmethyl)propanamide
CID 108943446
1-(3-morpholin-4-ylpropyl)-3-(pyridin-3-ylmethyl)urea
CID 127566290
2-(2-morpholin-4-ylethylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 108994762
5-(2-morpholin-4-ylethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109185798
N-(2-morpholin-4-ylethyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
CID 109277480
2-(2-morpholin-4-ylethylamino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 109168044

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid;2-(morpholin-4-ylamino)ethanol?
The IUPAC name of (1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid;2-(morpholin-4-ylamino)ethanol (CID 11270329) is (1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid;2-(morpholin-4-ylamino)ethanol.
What is the SMILES notation for (1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid;2-(morpholin-4-ylamino)ethanol?
The canonical SMILES for (1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid;2-(morpholin-4-ylamino)ethanol is O=P(O)(O)C(O)(Cc1cccnc1)P(=O)(O)O.OCCNN1CCOCC1.
What is the InChIKey of (1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid;2-(morpholin-4-ylamino)ethanol?
The InChIKey is AAXZOIUKTHSUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO7P2.C6H14N2O2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6;9-4-1-7-8-2-5-10-6-3-8/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15);7,9H,1-6H2.
What are the key properties of (1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid;2-(morpholin-4-ylamino)ethanol?
(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid;2-(morpholin-4-ylamino)ethanol has a molecular weight of 429.30 g/mol, XLogP of -1.56, 7 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid;2-(morpholin-4-ylamino)ethanol is sourced from PubChem (CID 11270329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).