dihydroxy(oxo)phosphanium;N-pyridin-1-ium-2-ylpyridin-2-amine;chloride

C10H12ClN3O3P+ — CID 139069607

IUPACdihydroxy(oxo)phosphanium;N-pyridin-1-ium-2-ylpyridin-2-amine;chloride
SMILESO=[P+](O)O.[Cl-].c1ccc(Nc2cccc[nH+]2)nc1
InChIInChI=1S/C10H9N3.ClH.HO3P/c1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;;1-4(2)3/h1-8H,(H,11,12,13);1H;(H-,1,2,3)/p+1
InChIKeyRBYYBCWOMAUXHQ-UHFFFAOYSA-O
MW288.65 g/mol
LogP-1.73
Rot. Bonds2

About dihydroxy(oxo)phosphanium;N-pyridin-1-ium-2-ylpyridin-2-amine;chloride

dihydroxy(oxo)phosphanium;N-pyridin-1-ium-2-ylpyridin-2-amine;chloride (PubChem CID 139069607) has the molecular formula C10H12ClN3O3P+ and a molecular weight of 288.65 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;N-pyridin-1-ium-2-ylpyridin-2-amine;chloride.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;N-pyridin-1-ium-2-ylpyridin-2-amine;chloride
PubChem CID139069607
Molecular FormulaC10H12ClN3O3P+
Molecular Weight288.65 g/mol
Exact Mass288.03
IUPAC Namedihydroxy(oxo)phosphanium;N-pyridin-1-ium-2-ylpyridin-2-amine;chloride
SMILESO=[P+](O)O.[Cl-].c1ccc(Nc2cccc[nH+]2)nc1
InChIInChI=1S/C10H9N3.ClH.HO3P/c1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;;1-4(2)3/h1-8H,(H,11,12,13);1H;(H-,1,2,3)/p+1
InChIKeyRBYYBCWOMAUXHQ-UHFFFAOYSA-O
XLogP-1.73
TPSA96.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.65
LogP ≤ 5-1.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-pyridin-1-ium-2-ylpyridin-2-amine
CID 3633996
N-pyridin-2-ylpyridin-2-amine;hydrochloride
CID 517616
1-N,4-N-dipyridin-2-ylbenzene-1,4-diamine
CID 139175237
copper;oxalate;N-pyridin-2-ylpyridin-2-amine;dihydrate
CID 139059840
silver;tetrakis(N-pyridin-2-ylpyridin-2-amine);nitrate
CID 139086290
potassium N-methanidylpyridin-2-amine
CID 153353371
methanol;N-methylpyridin-2-amine
CID 174971654
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
2-[[3-(pyridin-2-ylamino)-2-pyridinyl]sulfanyl]propanoic acid
CID 56698478
2-(pyridin-2-ylamino)pyridine-3-carboxamide
CID 172773445
N-(2-nitrosophenyl)pyridin-2-amine
CID 22903582
N-chloropyridin-2-amine
CID 22481248

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;N-pyridin-1-ium-2-ylpyridin-2-amine;chloride?
The IUPAC name of dihydroxy(oxo)phosphanium;N-pyridin-1-ium-2-ylpyridin-2-amine;chloride (CID 139069607) is dihydroxy(oxo)phosphanium;N-pyridin-1-ium-2-ylpyridin-2-amine;chloride.
What is the SMILES notation for dihydroxy(oxo)phosphanium;N-pyridin-1-ium-2-ylpyridin-2-amine;chloride?
The canonical SMILES for dihydroxy(oxo)phosphanium;N-pyridin-1-ium-2-ylpyridin-2-amine;chloride is O=[P+](O)O.[Cl-].c1ccc(Nc2cccc[nH+]2)nc1.
What is the InChIKey of dihydroxy(oxo)phosphanium;N-pyridin-1-ium-2-ylpyridin-2-amine;chloride?
The InChIKey is RBYYBCWOMAUXHQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H9N3.ClH.HO3P/c1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;;1-4(2)3/h1-8H,(H,11,12,13);1H;(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;N-pyridin-1-ium-2-ylpyridin-2-amine;chloride?
dihydroxy(oxo)phosphanium;N-pyridin-1-ium-2-ylpyridin-2-amine;chloride has a molecular weight of 288.65 g/mol, XLogP of -1.73, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;N-pyridin-1-ium-2-ylpyridin-2-amine;chloride is sourced from PubChem (CID 139069607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).