ethane;methyl-[6-(methylaminomethyl)-2-pyridinyl]phosphinic acid

C12H25N2O2P — CID 166148087

IUPACethane;methyl-[6-(methylaminomethyl)-2-pyridinyl]phosphinic acid
SMILESCC.CC.CNCc1cccc(P(C)(=O)O)n1
InChIInChI=1S/C8H13N2O2P.2C2H6/c1-9-6-7-4-3-5-8(10-7)13(2,11)12;2*1-2/h3-5,9H,6H2,1-2H3,(H,11,12);2*1-2H3
InChIKeyXONHERSZVJUOBN-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.38
Rot. Bonds3

About ethane;methyl-[6-(methylaminomethyl)-2-pyridinyl]phosphinic acid

ethane;methyl-[6-(methylaminomethyl)-2-pyridinyl]phosphinic acid (PubChem CID 166148087) has the molecular formula C12H25N2O2P and a molecular weight of 260.32 g/mol. Its IUPAC name is ethane;methyl-[6-(methylaminomethyl)-2-pyridinyl]phosphinic acid.

Molecular Properties

Compound Nameethane;methyl-[6-(methylaminomethyl)-2-pyridinyl]phosphinic acid
PubChem CID166148087
Molecular FormulaC12H25N2O2P
Molecular Weight260.32 g/mol
Exact Mass260.17
IUPAC Nameethane;methyl-[6-(methylaminomethyl)-2-pyridinyl]phosphinic acid
SMILESCC.CC.CNCc1cccc(P(C)(=O)O)n1
InChIInChI=1S/C8H13N2O2P.2C2H6/c1-9-6-7-4-3-5-8(10-7)13(2,11)12;2*1-2/h3-5,9H,6H2,1-2H3,(H,11,12);2*1-2H3
InChIKeyXONHERSZVJUOBN-UHFFFAOYSA-N
XLogP2.38
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid
CID 166148097
N-methyl-1-[6-(3-methylbut-3-enoxy)-2-pyridinyl]methanamine
CID 114470605
[6-[(dimethylamino)methyl]-2-pyridinyl]phosphonic acid
CID 166148102
1-[6-(fluoromethyl)-2-pyridinyl]-N-methylmethanamine
CID 84763498
1-[6-(2-methoxyethoxy)-2-pyridinyl]-N-methylmethanamine
CID 62292157
N-ethyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106905733
N,N-dimethyl-6-(methylaminomethyl)pyridin-2-amine
CID 62280515
N-(2-methoxyethyl)-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]prop-2-en-1-amine
CID 106907286
copper;bis((NE)-N-[1-[6-(methylaminomethyl)-2-pyridinyl]ethylidene]hydroxylamine)
CID 135528783
N-ethyl-N-methyl-6-(methylaminomethyl)pyridin-2-amine
CID 62280219
N,N-dimethyl-N'-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 106906032
1-[6-(3-ethyl-4-methylpiperazin-1-yl)-2-pyridinyl]-N-methylmethanamine
CID 55217768

Frequently Asked Questions

What is the IUPAC name of ethane;methyl-[6-(methylaminomethyl)-2-pyridinyl]phosphinic acid?
The IUPAC name of ethane;methyl-[6-(methylaminomethyl)-2-pyridinyl]phosphinic acid (CID 166148087) is ethane;methyl-[6-(methylaminomethyl)-2-pyridinyl]phosphinic acid.
What is the SMILES notation for ethane;methyl-[6-(methylaminomethyl)-2-pyridinyl]phosphinic acid?
The canonical SMILES for ethane;methyl-[6-(methylaminomethyl)-2-pyridinyl]phosphinic acid is CC.CC.CNCc1cccc(P(C)(=O)O)n1.
What is the InChIKey of ethane;methyl-[6-(methylaminomethyl)-2-pyridinyl]phosphinic acid?
The InChIKey is XONHERSZVJUOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N2O2P.2C2H6/c1-9-6-7-4-3-5-8(10-7)13(2,11)12;2*1-2/h3-5,9H,6H2,1-2H3,(H,11,12);2*1-2H3.
What are the key properties of ethane;methyl-[6-(methylaminomethyl)-2-pyridinyl]phosphinic acid?
ethane;methyl-[6-(methylaminomethyl)-2-pyridinyl]phosphinic acid has a molecular weight of 260.32 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl-[6-(methylaminomethyl)-2-pyridinyl]phosphinic acid is sourced from PubChem (CID 166148087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).