2-(4-chloro-2-pyridinyl)ethyl formate

C8H8ClNO2 — CID 174481007

IUPAC2-(4-chloro-2-pyridinyl)ethyl formate
SMILESO=COCCc1cc(Cl)ccn1
InChIInChI=1S/C8H8ClNO2/c9-7-1-3-10-8(5-7)2-4-12-6-11/h1,3,5-6H,2,4H2
InChIKeyHSWFHPVQVGSTMV-UHFFFAOYSA-N
MW185.61 g/mol
LogP1.45
Rot. Bonds4

About 2-(4-chloro-2-pyridinyl)ethyl formate

2-(4-chloro-2-pyridinyl)ethyl formate (PubChem CID 174481007) has the molecular formula C8H8ClNO2 and a molecular weight of 185.61 g/mol. Its IUPAC name is 2-(4-chloro-2-pyridinyl)ethyl formate.

Molecular Properties

Compound Name2-(4-chloro-2-pyridinyl)ethyl formate
PubChem CID174481007
Molecular FormulaC8H8ClNO2
Molecular Weight185.61 g/mol
Exact Mass185.02
IUPAC Name2-(4-chloro-2-pyridinyl)ethyl formate
SMILESO=COCCc1cc(Cl)ccn1
InChIInChI=1S/C8H8ClNO2/c9-7-1-3-10-8(5-7)2-4-12-6-11/h1,3,5-6H,2,4H2
InChIKeyHSWFHPVQVGSTMV-UHFFFAOYSA-N
XLogP1.45
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-pyridinyl)ethyl formate?
The IUPAC name of 2-(4-chloro-2-pyridinyl)ethyl formate (CID 174481007) is 2-(4-chloro-2-pyridinyl)ethyl formate.
What is the SMILES notation for 2-(4-chloro-2-pyridinyl)ethyl formate?
The canonical SMILES for 2-(4-chloro-2-pyridinyl)ethyl formate is O=COCCc1cc(Cl)ccn1.
What is the InChIKey of 2-(4-chloro-2-pyridinyl)ethyl formate?
The InChIKey is HSWFHPVQVGSTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2/c9-7-1-3-10-8(5-7)2-4-12-6-11/h1,3,5-6H,2,4H2.
What are the key properties of 2-(4-chloro-2-pyridinyl)ethyl formate?
2-(4-chloro-2-pyridinyl)ethyl formate has a molecular weight of 185.61 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-pyridinyl)ethyl formate is sourced from PubChem (CID 174481007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).