[phosphono(pyridin-2-yl)methyl]azanium chloride

C6H10ClN2O3P — CID 10727876

IUPAC[phosphono(pyridin-2-yl)methyl]azanium chloride
SMILES[Cl-].[NH3+]C(c1ccccn1)P(=O)(O)O
InChIInChI=1S/C6H9N2O3P.ClH/c7-6(12(9,10)11)5-3-1-2-4-8-5;/h1-4,6H,7H2,(H2,9,10,11);1H
InChIKeyPWARBZLMLKSKNC-UHFFFAOYSA-N
MW224.58 g/mol
LogP-3.50
Rot. Bonds2

About [phosphono(pyridin-2-yl)methyl]azanium chloride

[phosphono(pyridin-2-yl)methyl]azanium chloride (PubChem CID 10727876) has the molecular formula C6H10ClN2O3P and a molecular weight of 224.58 g/mol. Its IUPAC name is [phosphono(pyridin-2-yl)methyl]azanium chloride.

Molecular Properties

Compound Name[phosphono(pyridin-2-yl)methyl]azanium chloride
PubChem CID10727876
Molecular FormulaC6H10ClN2O3P
Molecular Weight224.58 g/mol
Exact Mass224.01
IUPAC Name[phosphono(pyridin-2-yl)methyl]azanium chloride
SMILES[Cl-].[NH3+]C(c1ccccn1)P(=O)(O)O
InChIInChI=1S/C6H9N2O3P.ClH/c7-6(12(9,10)11)5-3-1-2-4-8-5;/h1-4,6H,7H2,(H2,9,10,11);1H
InChIKeyPWARBZLMLKSKNC-UHFFFAOYSA-N
XLogP-3.50
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.58
LogP ≤ 5-3.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
dipyridin-2-ylmethanol;palladium(2+);dichloride
CID 173385206
(4-oxo-4-phenyl-1-phosphono-3-pyridin-2-ylbutyl)phosphonic acid
CID 19975357
dipyridin-2-ylmethanesulfonic acid
CID 11569476
2,4-dipyridin-2-ylpentan-3-one
CID 141048798
2-phosphono-3-(2-pyridin-2-ylpropyl)butanedioic acid
CID 19955315
(1S,2S)-2-diphenylphosphoryl-2-fluoro-1-pyridin-2-ylethanol
CID 101097525
2-(1-diphenylphosphorylethyl)pyridine
CID 15841923
2-iodo-2-pyridin-2-ylacetic acid
CID 143887294
2-(1,2-dinitroso-2-pyridin-2-ylethyl)pyridine
CID 56630200
(1S)-1-pyridin-2-ylethanol;hydrochloride
CID 71757448
pentan-3-ylphosphonic acid;2-pyridin-2-ylpyridine
CID 69498944

Frequently Asked Questions

What is the IUPAC name of [phosphono(pyridin-2-yl)methyl]azanium chloride?
The IUPAC name of [phosphono(pyridin-2-yl)methyl]azanium chloride (CID 10727876) is [phosphono(pyridin-2-yl)methyl]azanium chloride.
What is the SMILES notation for [phosphono(pyridin-2-yl)methyl]azanium chloride?
The canonical SMILES for [phosphono(pyridin-2-yl)methyl]azanium chloride is [Cl-].[NH3+]C(c1ccccn1)P(=O)(O)O.
What is the InChIKey of [phosphono(pyridin-2-yl)methyl]azanium chloride?
The InChIKey is PWARBZLMLKSKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N2O3P.ClH/c7-6(12(9,10)11)5-3-1-2-4-8-5;/h1-4,6H,7H2,(H2,9,10,11);1H.
What are the key properties of [phosphono(pyridin-2-yl)methyl]azanium chloride?
[phosphono(pyridin-2-yl)methyl]azanium chloride has a molecular weight of 224.58 g/mol, XLogP of -3.50, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [phosphono(pyridin-2-yl)methyl]azanium chloride is sourced from PubChem (CID 10727876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).