lithium;(2-aminophenyl) dihydrogen phosphate;hydride

C6H9LiNO4P — CID 175194411

IUPAClithium;(2-aminophenyl) dihydrogen phosphate;hydride
SMILESNc1ccccc1OP(=O)(O)O.[H-].[Li+]
InChIInChI=1S/C6H8NO4P.Li.H/c7-5-3-1-2-4-6(5)11-12(8,9)10;;/h1-4H,7H2,(H2,8,9,10);;/q;+1;-1
InChIKeyMQQAUOMKXGJQIX-UHFFFAOYSA-N
MW197.06 g/mol
LogP-2.14
Rot. Bonds2

About lithium;(2-aminophenyl) dihydrogen phosphate;hydride

lithium;(2-aminophenyl) dihydrogen phosphate;hydride (PubChem CID 175194411) has the molecular formula C6H9LiNO4P and a molecular weight of 197.06 g/mol. Its IUPAC name is lithium;(2-aminophenyl) dihydrogen phosphate;hydride.

Molecular Properties

Compound Namelithium;(2-aminophenyl) dihydrogen phosphate;hydride
PubChem CID175194411
Molecular FormulaC6H9LiNO4P
Molecular Weight197.06 g/mol
Exact Mass197.04
IUPAC Namelithium;(2-aminophenyl) dihydrogen phosphate;hydride
SMILESNc1ccccc1OP(=O)(O)O.[H-].[Li+]
InChIInChI=1S/C6H8NO4P.Li.H/c7-5-3-1-2-4-6(5)11-12(8,9)10;;/h1-4H,7H2,(H2,8,9,10);;/q;+1;-1
InChIKeyMQQAUOMKXGJQIX-UHFFFAOYSA-N
XLogP-2.14
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.06
LogP ≤ 5-2.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze lithium;(2-aminophenyl) dihydrogen phosphate;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-sulfamoylphenyl) dihydrogen phosphate
CID 154197376
2-phosphonooxybenzenediazonium
CID 101390583
(2-chlorophenyl) dihydrogen phosphate dichloride
CID 20976937
2-aminophenol;phenyl dihydrogen phosphate
CID 158038709
(2-fluorosulfonylphenyl) dihydrogen phosphate
CID 175215288
sodium;hydride;2-phosphonooxybenzoic acid
CID 174241105
2-[(2-aminophenoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 19380802
(2-amino-5-methoxyphenyl) dihydrogen phosphate
CID 123556762
tetrasodium;[[(2-aminophenoxy)-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CID 11407948
[2-(difluoromethyl)phenyl] dihydrogen phosphate
CID 69493795
1,1'-biphenyl;(2-methylphenyl) dihydrogen phosphate
CID 174514664
(2-tetradecoxyphenyl) dihydrogen phosphate
CID 23178967

Frequently Asked Questions

What is the IUPAC name of lithium;(2-aminophenyl) dihydrogen phosphate;hydride?
The IUPAC name of lithium;(2-aminophenyl) dihydrogen phosphate;hydride (CID 175194411) is lithium;(2-aminophenyl) dihydrogen phosphate;hydride.
What is the SMILES notation for lithium;(2-aminophenyl) dihydrogen phosphate;hydride?
The canonical SMILES for lithium;(2-aminophenyl) dihydrogen phosphate;hydride is Nc1ccccc1OP(=O)(O)O.[H-].[Li+].
What is the InChIKey of lithium;(2-aminophenyl) dihydrogen phosphate;hydride?
The InChIKey is MQQAUOMKXGJQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8NO4P.Li.H/c7-5-3-1-2-4-6(5)11-12(8,9)10;;/h1-4H,7H2,(H2,8,9,10);;/q;+1;-1.
What are the key properties of lithium;(2-aminophenyl) dihydrogen phosphate;hydride?
lithium;(2-aminophenyl) dihydrogen phosphate;hydride has a molecular weight of 197.06 g/mol, XLogP of -2.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(2-aminophenyl) dihydrogen phosphate;hydride is sourced from PubChem (CID 175194411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).