dimethyl pyridin-2-ylmethyl phosphate

C8H12NO4P — CID 11622628

IUPACdimethyl pyridin-2-ylmethyl phosphate
SMILESCOP(=O)(OC)OCc1ccccn1
InChIInChI=1S/C8H12NO4P/c1-11-14(10,12-2)13-7-8-5-3-4-6-9-8/h3-6H,7H2,1-2H3
InChIKeySBYUQGSWGWVAMK-UHFFFAOYSA-N
MW217.16 g/mol
LogP2.00
Rot. Bonds5

About dimethyl pyridin-2-ylmethyl phosphate

dimethyl pyridin-2-ylmethyl phosphate (PubChem CID 11622628) has the molecular formula C8H12NO4P and a molecular weight of 217.16 g/mol. Its IUPAC name is dimethyl pyridin-2-ylmethyl phosphate.

Molecular Properties

Compound Namedimethyl pyridin-2-ylmethyl phosphate
PubChem CID11622628
Molecular FormulaC8H12NO4P
Molecular Weight217.16 g/mol
Exact Mass217.05
IUPAC Namedimethyl pyridin-2-ylmethyl phosphate
SMILESCOP(=O)(OC)OCc1ccccn1
InChIInChI=1S/C8H12NO4P/c1-11-14(10,12-2)13-7-8-5-3-4-6-9-8/h3-6H,7H2,1-2H3
InChIKeySBYUQGSWGWVAMK-UHFFFAOYSA-N
XLogP2.00
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.16
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethoxy(pyridin-2-ylmethyl)phosphinic acid
CID 86045425
1-O-methyl 2-O-(pyridin-2-ylmethyl) benzene-1,2-dicarboxylate
CID 56504965
methyl 6-(pyridin-2-ylmethoxymethyl)pyridine-3-carboxylate
CID 83214326
pyridin-2-ylmethyl 2,4,5-trimethoxybenzoate
CID 43008926
pyridin-2-ylmethyl 2-aminopropanoate
CID 83529934
2-(1,1-dimethoxypropan-2-yloxymethyl)pyridine
CID 67415336
pyridin-2-ylmethyl hypoiodite
CID 67567753
pyridin-2-ylmethyl 3,3-dimethyl-2-methylidenebutanoate
CID 11458652
2-(hydroxymethyl)-2-(pyridin-2-ylmethoxy)propane-1,3-diol
CID 150698152
N-(pyridin-2-ylmethoxy)methanamine
CID 58351102
bis(2-(diethoxyphosphorylmethyl)pyridine);platinum(2+);dichloride;hydrate
CID 139065832
pyridin-2-ylmethyl 2-hydroxybenzoate
CID 43053918

Frequently Asked Questions

What is the IUPAC name of dimethyl pyridin-2-ylmethyl phosphate?
The IUPAC name of dimethyl pyridin-2-ylmethyl phosphate (CID 11622628) is dimethyl pyridin-2-ylmethyl phosphate.
What is the SMILES notation for dimethyl pyridin-2-ylmethyl phosphate?
The canonical SMILES for dimethyl pyridin-2-ylmethyl phosphate is COP(=O)(OC)OCc1ccccn1.
What is the InChIKey of dimethyl pyridin-2-ylmethyl phosphate?
The InChIKey is SBYUQGSWGWVAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12NO4P/c1-11-14(10,12-2)13-7-8-5-3-4-6-9-8/h3-6H,7H2,1-2H3.
What are the key properties of dimethyl pyridin-2-ylmethyl phosphate?
dimethyl pyridin-2-ylmethyl phosphate has a molecular weight of 217.16 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl pyridin-2-ylmethyl phosphate is sourced from PubChem (CID 11622628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).