chloro ethyl pyridin-2-yl phosphate

C7H9ClNO4P — CID 21223098

IUPACchloro ethyl pyridin-2-yl phosphate
SMILESCCOP(=O)(OCl)Oc1ccccn1
InChIInChI=1S/C7H9ClNO4P/c1-2-11-14(10,13-8)12-7-5-3-4-6-9-7/h3-6H,2H2,1H3
InChIKeyANPYLTXDZNLMFO-UHFFFAOYSA-N
MW237.58 g/mol
LogP2.78
Rot. Bonds5

About chloro ethyl pyridin-2-yl phosphate

chloro ethyl pyridin-2-yl phosphate (PubChem CID 21223098) has the molecular formula C7H9ClNO4P and a molecular weight of 237.58 g/mol. Its IUPAC name is chloro ethyl pyridin-2-yl phosphate.

Molecular Properties

Compound Namechloro ethyl pyridin-2-yl phosphate
PubChem CID21223098
Molecular FormulaC7H9ClNO4P
Molecular Weight237.58 g/mol
Exact Mass237.00
IUPAC Namechloro ethyl pyridin-2-yl phosphate
SMILESCCOP(=O)(OCl)Oc1ccccn1
InChIInChI=1S/C7H9ClNO4P/c1-2-11-14(10,13-8)12-7-5-3-4-6-9-7/h3-6H,2H2,1H3
InChIKeyANPYLTXDZNLMFO-UHFFFAOYSA-N
XLogP2.78
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.58
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro ethyl pyridin-2-yl phosphate?
The IUPAC name of chloro ethyl pyridin-2-yl phosphate (CID 21223098) is chloro ethyl pyridin-2-yl phosphate.
What is the SMILES notation for chloro ethyl pyridin-2-yl phosphate?
The canonical SMILES for chloro ethyl pyridin-2-yl phosphate is CCOP(=O)(OCl)Oc1ccccn1.
What is the InChIKey of chloro ethyl pyridin-2-yl phosphate?
The InChIKey is ANPYLTXDZNLMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClNO4P/c1-2-11-14(10,13-8)12-7-5-3-4-6-9-7/h3-6H,2H2,1H3.
What are the key properties of chloro ethyl pyridin-2-yl phosphate?
chloro ethyl pyridin-2-yl phosphate has a molecular weight of 237.58 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chloro ethyl pyridin-2-yl phosphate is sourced from PubChem (CID 21223098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).