4-(dimethylphosphorylmethoxy)pyridine

C8H12NO2P — CID 15272728

IUPAC4-(dimethylphosphorylmethoxy)pyridine
SMILESCP(C)(=O)COc1ccncc1
InChIInChI=1S/C8H12NO2P/c1-12(2,10)7-11-8-3-5-9-6-4-8/h3-6H,7H2,1-2H3
InChIKeySAGHNENIPXYXPB-UHFFFAOYSA-N
MW185.16 g/mol
LogP2.04
Rot. Bonds3

About 4-(dimethylphosphorylmethoxy)pyridine

4-(dimethylphosphorylmethoxy)pyridine (PubChem CID 15272728) has the molecular formula C8H12NO2P and a molecular weight of 185.16 g/mol. Its IUPAC name is 4-(dimethylphosphorylmethoxy)pyridine.

Molecular Properties

Compound Name4-(dimethylphosphorylmethoxy)pyridine
PubChem CID15272728
Molecular FormulaC8H12NO2P
Molecular Weight185.16 g/mol
Exact Mass185.06
IUPAC Name4-(dimethylphosphorylmethoxy)pyridine
SMILESCP(C)(=O)COc1ccncc1
InChIInChI=1S/C8H12NO2P/c1-12(2,10)7-11-8-3-5-9-6-4-8/h3-6H,7H2,1-2H3
InChIKeySAGHNENIPXYXPB-UHFFFAOYSA-N
XLogP2.04
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.16
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-pyridin-4-yloxyacetate
CID 90026078
4-pentoxypyridine
CID 23560340
pentan-3-yl(pyridin-4-yloxy)phosphinic acid
CID 57198422
N-methyl-4-pyridin-4-yloxybutan-1-amine
CID 174683460
4-[(4-methoxyphenyl)methoxy]pyridine
CID 54365889
(E)-3-pyridin-4-yloxyprop-1-en-1-amine
CID 169265218
4-[(1-methylcyclopentyl)methoxy]pyridine
CID 129278119
N'-(4-ethoxybenzoyl)pyridine-4-carbohydrazide
CID 959949
N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 27173434
5-pyridin-4-yloxypentan-1-ol
CID 46179486
7-pyridin-4-yloxyheptan-1-ol
CID 46179485
potassium 4-pyridin-4-yloxybutanoate
CID 23703747

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylphosphorylmethoxy)pyridine?
The IUPAC name of 4-(dimethylphosphorylmethoxy)pyridine (CID 15272728) is 4-(dimethylphosphorylmethoxy)pyridine.
What is the SMILES notation for 4-(dimethylphosphorylmethoxy)pyridine?
The canonical SMILES for 4-(dimethylphosphorylmethoxy)pyridine is CP(C)(=O)COc1ccncc1.
What is the InChIKey of 4-(dimethylphosphorylmethoxy)pyridine?
The InChIKey is SAGHNENIPXYXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12NO2P/c1-12(2,10)7-11-8-3-5-9-6-4-8/h3-6H,7H2,1-2H3.
What are the key properties of 4-(dimethylphosphorylmethoxy)pyridine?
4-(dimethylphosphorylmethoxy)pyridine has a molecular weight of 185.16 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylphosphorylmethoxy)pyridine is sourced from PubChem (CID 15272728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).