methyl-(3-methyl-2-nitrophenyl)phosphinic acid

C8H10NO4P — CID 126564150

IUPACmethyl-(3-methyl-2-nitrophenyl)phosphinic acid
SMILESCc1cccc(P(C)(=O)O)c1[N+](=O)[O-]
InChIInChI=1S/C8H10NO4P/c1-6-4-3-5-7(14(2,12)13)8(6)9(10)11/h3-5H,1-2H3,(H,12,13)
InChIKeyVDRGIIZUUQKEIV-UHFFFAOYSA-N
MW215.15 g/mol
LogP1.43
Rot. Bonds2

About methyl-(3-methyl-2-nitrophenyl)phosphinic acid

methyl-(3-methyl-2-nitrophenyl)phosphinic acid (PubChem CID 126564150) has the molecular formula C8H10NO4P and a molecular weight of 215.15 g/mol. Its IUPAC name is methyl-(3-methyl-2-nitrophenyl)phosphinic acid.

Molecular Properties

Compound Namemethyl-(3-methyl-2-nitrophenyl)phosphinic acid
PubChem CID126564150
Molecular FormulaC8H10NO4P
Molecular Weight215.15 g/mol
Exact Mass215.03
IUPAC Namemethyl-(3-methyl-2-nitrophenyl)phosphinic acid
SMILESCc1cccc(P(C)(=O)O)c1[N+](=O)[O-]
InChIInChI=1S/C8H10NO4P/c1-6-4-3-5-7(14(2,12)13)8(6)9(10)11/h3-5H,1-2H3,(H,12,13)
InChIKeyVDRGIIZUUQKEIV-UHFFFAOYSA-N
XLogP1.43
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.15
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2,3-dinitrobenzene;1,2,3-trinitrobenzene
CID 19080539
1-methyl-2,3-dinitrobenzene;hydrate
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N,N-diethyl-3-methyl-2-nitrobenzamide
CID 2186690
1,4-dimethyl-2,3-dinitrobenzene
CID 3916406
silver 3-methyl-2-nitrobenzoate
CID 162078770
3-methyl-N'-(2-methylbenzoyl)-2-nitrobenzohydrazide
CID 46520515
(3-methyl-2-nitrophenyl)methylhydrazine
CID 53402772
1-(dichloromethyl)-3-methyl-2-nitrobenzene
CID 174988309
2-(3-methyl-2-nitrophenoxy)phenol
CID 114041918
N'-tert-butyl-3-methyl-2-nitrobenzohydrazide
CID 141375033
3-methyl-2-nitro-N-(2,4,6-trimethylphenyl)benzamide
CID 4255599
N-(4-hydroxyphenyl)-3-methyl-2-nitrobenzamide
CID 28739464

Frequently Asked Questions

What is the IUPAC name of methyl-(3-methyl-2-nitrophenyl)phosphinic acid?
The IUPAC name of methyl-(3-methyl-2-nitrophenyl)phosphinic acid (CID 126564150) is methyl-(3-methyl-2-nitrophenyl)phosphinic acid.
What is the SMILES notation for methyl-(3-methyl-2-nitrophenyl)phosphinic acid?
The canonical SMILES for methyl-(3-methyl-2-nitrophenyl)phosphinic acid is Cc1cccc(P(C)(=O)O)c1[N+](=O)[O-].
What is the InChIKey of methyl-(3-methyl-2-nitrophenyl)phosphinic acid?
The InChIKey is VDRGIIZUUQKEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10NO4P/c1-6-4-3-5-7(14(2,12)13)8(6)9(10)11/h3-5H,1-2H3,(H,12,13).
What are the key properties of methyl-(3-methyl-2-nitrophenyl)phosphinic acid?
methyl-(3-methyl-2-nitrophenyl)phosphinic acid has a molecular weight of 215.15 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(3-methyl-2-nitrophenyl)phosphinic acid is sourced from PubChem (CID 126564150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).