2-chloro-4-(1-ethylperoxyethenyl)pyridine

C9H10ClNO2 — CID 88721934

IUPAC2-chloro-4-(1-ethylperoxyethenyl)pyridine
SMILESC=C(OOCC)c1ccnc(Cl)c1
InChIInChI=1S/C9H10ClNO2/c1-3-12-13-7(2)8-4-5-11-9(10)6-8/h4-6H,2-3H2,1H3
InChIKeyIYGOXYWRKBHGKR-UHFFFAOYSA-N
MW199.64 g/mol
LogP2.67
Rot. Bonds4

About 2-chloro-4-(1-ethylperoxyethenyl)pyridine

2-chloro-4-(1-ethylperoxyethenyl)pyridine (PubChem CID 88721934) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 2-chloro-4-(1-ethylperoxyethenyl)pyridine.

Molecular Properties

Compound Name2-chloro-4-(1-ethylperoxyethenyl)pyridine
PubChem CID88721934
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name2-chloro-4-(1-ethylperoxyethenyl)pyridine
SMILESC=C(OOCC)c1ccnc(Cl)c1
InChIInChI=1S/C9H10ClNO2/c1-3-12-13-7(2)8-4-5-11-9(10)6-8/h4-6H,2-3H2,1H3
InChIKeyIYGOXYWRKBHGKR-UHFFFAOYSA-N
XLogP2.67
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-4-pyridinyl)-2,2-diethoxyethanone
CID 162417624
2-chloro-4-[(E)-pent-2-en-3-yl]pyridine
CID 90154949
2-chloro-4-pent-2-en-3-ylpyridine
CID 123768437
1-(2-chloro-4-pyridinyl)-2-ethylbutan-1-one
CID 24723737
propyl 2-chloropyridine-4-carboxylate
CID 24723709
1-(2-chloro-4-pyridinyl)-2-(methylamino)prop-2-en-1-one
CID 140967080
lithium (Z)-1-(2-chloro-4-pyridinyl)-4-ethoxy-3,4-dioxobut-1-en-1-olate
CID 140670995
ethyl 2-[(2-chloropyridine-4-carbonyl)amino]propanoate
CID 47368209
butanamide;2-chloropyridine-4-carboxamide
CID 174570819
1-(2-chloro-4-pyridinyl)-2-(methylamino)ethanone
CID 82655374
1-(2-chloro-4-pyridinyl)-2,2-dimethylpropan-1-one
CID 24723731
4-(1-ethoxyethenyl)-2-phenylpyridine
CID 141200949

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1-ethylperoxyethenyl)pyridine?
The IUPAC name of 2-chloro-4-(1-ethylperoxyethenyl)pyridine (CID 88721934) is 2-chloro-4-(1-ethylperoxyethenyl)pyridine.
What is the SMILES notation for 2-chloro-4-(1-ethylperoxyethenyl)pyridine?
The canonical SMILES for 2-chloro-4-(1-ethylperoxyethenyl)pyridine is C=C(OOCC)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-4-(1-ethylperoxyethenyl)pyridine?
The InChIKey is IYGOXYWRKBHGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-3-12-13-7(2)8-4-5-11-9(10)6-8/h4-6H,2-3H2,1H3.
What are the key properties of 2-chloro-4-(1-ethylperoxyethenyl)pyridine?
2-chloro-4-(1-ethylperoxyethenyl)pyridine has a molecular weight of 199.64 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1-ethylperoxyethenyl)pyridine is sourced from PubChem (CID 88721934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).