2-(6-methyl-3-pyridinyl)ethylphosphonic acid

C8H12NO3P — CID 3530330

IUPAC2-(6-methyl-3-pyridinyl)ethylphosphonic acid
SMILESCc1ccc(CCP(=O)(O)O)cn1
InChIInChI=1S/C8H12NO3P/c1-7-2-3-8(6-9-7)4-5-13(10,11)12/h2-3,6H,4-5H2,1H3,(H2,10,11,12)
InChIKeySZVLOVJZKFFKEH-UHFFFAOYSA-N
MW201.16 g/mol
LogP1.11
Rot. Bonds3

About 2-(6-methyl-3-pyridinyl)ethylphosphonic acid

2-(6-methyl-3-pyridinyl)ethylphosphonic acid (PubChem CID 3530330) has the molecular formula C8H12NO3P and a molecular weight of 201.16 g/mol. Its IUPAC name is 2-(6-methyl-3-pyridinyl)ethylphosphonic acid.

Molecular Properties

Compound Name2-(6-methyl-3-pyridinyl)ethylphosphonic acid
PubChem CID3530330
Molecular FormulaC8H12NO3P
Molecular Weight201.16 g/mol
Exact Mass201.06
IUPAC Name2-(6-methyl-3-pyridinyl)ethylphosphonic acid
SMILESCc1ccc(CCP(=O)(O)O)cn1
InChIInChI=1S/C8H12NO3P/c1-7-2-3-8(6-9-7)4-5-13(10,11)12/h2-3,6H,4-5H2,1H3,(H2,10,11,12)
InChIKeySZVLOVJZKFFKEH-UHFFFAOYSA-N
XLogP1.11
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.16
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(6-methyl-3-pyridinyl)propylcarbamic acid
CID 118453961
N-[3-(6-methyl-3-pyridinyl)propoxy]methanamine
CID 155323830
methoxymethane;(6-methyl-3-pyridinyl)methanol
CID 145375166
methyl 2-amino-4-(6-methyl-3-pyridinyl)butanoate
CID 175233983
1-N,4-N-bis[2-(6-methyl-3-pyridinyl)ethyl]bicyclo[2.2.2]octane-1,4-dicarboxamide
CID 166234539
(6-methyl-3-pyridinyl)methanamine;hydrobromide
CID 133057273
5-ethyl-2-methylpyridine;nitric acid
CID 157098676
2-methyl-5-(oxolan-3-ylmethyl)pyridine
CID 170611002
N,2-dimethyl-3-(6-methyl-3-pyridinyl)propan-1-amine
CID 64664536
N-ethyl-3-(6-methyl-3-pyridinyl)propan-1-amine
CID 64503028
N-[2-(4-aminophenyl)ethyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 119549060
2-methoxy-N-[(6-methyl-3-pyridinyl)methyl]acetamide
CID 47043979

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-pyridinyl)ethylphosphonic acid?
The IUPAC name of 2-(6-methyl-3-pyridinyl)ethylphosphonic acid (CID 3530330) is 2-(6-methyl-3-pyridinyl)ethylphosphonic acid.
What is the SMILES notation for 2-(6-methyl-3-pyridinyl)ethylphosphonic acid?
The canonical SMILES for 2-(6-methyl-3-pyridinyl)ethylphosphonic acid is Cc1ccc(CCP(=O)(O)O)cn1.
What is the InChIKey of 2-(6-methyl-3-pyridinyl)ethylphosphonic acid?
The InChIKey is SZVLOVJZKFFKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12NO3P/c1-7-2-3-8(6-9-7)4-5-13(10,11)12/h2-3,6H,4-5H2,1H3,(H2,10,11,12).
What are the key properties of 2-(6-methyl-3-pyridinyl)ethylphosphonic acid?
2-(6-methyl-3-pyridinyl)ethylphosphonic acid has a molecular weight of 201.16 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-pyridinyl)ethylphosphonic acid is sourced from PubChem (CID 3530330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).