[[(5-chloro-2-pyridinyl)amino]-[hydroxy(oxo)phosphaniumyl]oxymethoxy]-hydroxy-oxophosphanium

C6H7ClN2O6P2+2 — CID 71214104

IUPAC[[(5-chloro-2-pyridinyl)amino]-[hydroxy(oxo)phosphaniumyl]oxymethoxy]-hydroxy-oxophosphanium
SMILESO=[P+](O)OC(Nc1ccc(Cl)cn1)O[P+](=O)O
InChIInChI=1S/C6H5ClN2O6P2/c7-4-1-2-5(8-3-4)9-6(14-16(10)11)15-17(12)13/h1-3,6H,(H-2,8,9,10,11,12,13)/p+2
InChIKeyMCMQIULWPCXAAW-UHFFFAOYSA-P
MW300.53 g/mol
LogP1.76
Rot. Bonds6

About [[(5-chloro-2-pyridinyl)amino]-[hydroxy(oxo)phosphaniumyl]oxymethoxy]-hydroxy-oxophosphanium

[[(5-chloro-2-pyridinyl)amino]-[hydroxy(oxo)phosphaniumyl]oxymethoxy]-hydroxy-oxophosphanium (PubChem CID 71214104) has the molecular formula C6H7ClN2O6P2+2 and a molecular weight of 300.53 g/mol. Its IUPAC name is [[(5-chloro-2-pyridinyl)amino]-[hydroxy(oxo)phosphaniumyl]oxymethoxy]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[[(5-chloro-2-pyridinyl)amino]-[hydroxy(oxo)phosphaniumyl]oxymethoxy]-hydroxy-oxophosphanium
PubChem CID71214104
Molecular FormulaC6H7ClN2O6P2+2
Molecular Weight300.53 g/mol
Exact Mass299.95
IUPAC Name[[(5-chloro-2-pyridinyl)amino]-[hydroxy(oxo)phosphaniumyl]oxymethoxy]-hydroxy-oxophosphanium
SMILESO=[P+](O)OC(Nc1ccc(Cl)cn1)O[P+](=O)O
InChIInChI=1S/C6H5ClN2O6P2/c7-4-1-2-5(8-3-4)9-6(14-16(10)11)15-17(12)13/h1-3,6H,(H-2,8,9,10,11,12,13)/p+2
InChIKeyMCMQIULWPCXAAW-UHFFFAOYSA-P
XLogP1.76
TPSA117.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.53
LogP ≤ 51.76
H-Bond Donors ≤ 53
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

N-[bis(phosphanyl)methyl]-5-chloropyridin-2-amine
CID 118465848
2-[(5-chloro-2-pyridinyl)amino]propane-1,3-diol
CID 65314143
[(5-chloro-2-pyridinyl)amino] acetate
CID 55278960
N-(5-chloro-2-pyridinyl)prop-2-enamide
CID 43616360
2-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-1-ol
CID 61246447
2-[(5-chloro-2-pyridinyl)amino]-2-phenylethanol
CID 55159998
5-chloro-N-(5-methylhexan-2-yl)pyridin-2-amine
CID 63925701
2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl chloride
CID 152602540
5-chloro-N-(4,4-difluorobutan-2-yl)pyridin-2-amine
CID 130639953
(2S)-2-amino-N-(5-chloro-2-pyridinyl)propanamide
CID 61146165
5-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-2-amine
CID 54968175
5-chloro-N-hexan-3-ylpyridin-2-amine
CID 62117278

Frequently Asked Questions

What is the IUPAC name of [[(5-chloro-2-pyridinyl)amino]-[hydroxy(oxo)phosphaniumyl]oxymethoxy]-hydroxy-oxophosphanium?
The IUPAC name of [[(5-chloro-2-pyridinyl)amino]-[hydroxy(oxo)phosphaniumyl]oxymethoxy]-hydroxy-oxophosphanium (CID 71214104) is [[(5-chloro-2-pyridinyl)amino]-[hydroxy(oxo)phosphaniumyl]oxymethoxy]-hydroxy-oxophosphanium.
What is the SMILES notation for [[(5-chloro-2-pyridinyl)amino]-[hydroxy(oxo)phosphaniumyl]oxymethoxy]-hydroxy-oxophosphanium?
The canonical SMILES for [[(5-chloro-2-pyridinyl)amino]-[hydroxy(oxo)phosphaniumyl]oxymethoxy]-hydroxy-oxophosphanium is O=[P+](O)OC(Nc1ccc(Cl)cn1)O[P+](=O)O.
What is the InChIKey of [[(5-chloro-2-pyridinyl)amino]-[hydroxy(oxo)phosphaniumyl]oxymethoxy]-hydroxy-oxophosphanium?
The InChIKey is MCMQIULWPCXAAW-UHFFFAOYSA-P. The full InChI is InChI=1S/C6H5ClN2O6P2/c7-4-1-2-5(8-3-4)9-6(14-16(10)11)15-17(12)13/h1-3,6H,(H-2,8,9,10,11,12,13)/p+2.
What are the key properties of [[(5-chloro-2-pyridinyl)amino]-[hydroxy(oxo)phosphaniumyl]oxymethoxy]-hydroxy-oxophosphanium?
[[(5-chloro-2-pyridinyl)amino]-[hydroxy(oxo)phosphaniumyl]oxymethoxy]-hydroxy-oxophosphanium has a molecular weight of 300.53 g/mol, XLogP of 1.76, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[(5-chloro-2-pyridinyl)amino]-[hydroxy(oxo)phosphaniumyl]oxymethoxy]-hydroxy-oxophosphanium is sourced from PubChem (CID 71214104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).