2-chloro-3-(3-chloroprop-2-enoxy)pyridine

C8H7Cl2NO — CID 77056049

IUPAC2-chloro-3-(3-chloroprop-2-enoxy)pyridine
SMILESClC=CCOc1cccnc1Cl
InChIInChI=1S/C8H7Cl2NO/c9-4-2-6-12-7-3-1-5-11-8(7)10/h1-5H,6H2
InChIKeyHZPKFIVSTVQVGH-UHFFFAOYSA-N
MW204.06 g/mol
LogP2.87
Rot. Bonds3

About 2-chloro-3-(3-chloroprop-2-enoxy)pyridine

2-chloro-3-(3-chloroprop-2-enoxy)pyridine (PubChem CID 77056049) has the molecular formula C8H7Cl2NO and a molecular weight of 204.06 g/mol. Its IUPAC name is 2-chloro-3-(3-chloroprop-2-enoxy)pyridine.

Molecular Properties

Compound Name2-chloro-3-(3-chloroprop-2-enoxy)pyridine
PubChem CID77056049
Molecular FormulaC8H7Cl2NO
Molecular Weight204.06 g/mol
Exact Mass202.99
IUPAC Name2-chloro-3-(3-chloroprop-2-enoxy)pyridine
SMILESClC=CCOc1cccnc1Cl
InChIInChI=1S/C8H7Cl2NO/c9-4-2-6-12-7-3-1-5-11-8(7)10/h1-5H,6H2
InChIKeyHZPKFIVSTVQVGH-UHFFFAOYSA-N
XLogP2.87
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.06
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3-(methoxymethoxy)pyridine
CID 57430080
2-[(E)-3-chloroprop-2-enoxy]pyridine
CID 131234471
2-chloro-3-(2-fluoroethoxy)pyridine
CID 79035180
8-[(E)-3-chloroprop-2-enoxy]quinolin-5-amine
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[2-chloro-6-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine
CID 114318333
2-[2-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine
CID 60905172
2-chloro-3-(2-pyridin-3-ylethoxy)pyridine
CID 65102137
5-[(E)-3-chloroprop-2-enoxy]quinoline-8-sulfonamide
CID 103045348
2-chloro-3-(4-methylpentoxy)pyridine
CID 83157028
2-chloro-3-[(4-iodophenyl)methoxy]pyridine
CID 65476581
2-chloro-3-[(5-chloro-1-methylimidazol-2-yl)methoxy]pyridine
CID 64983187
2-chloro-3-(cyclohexylmethoxy)pyridine
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(3-chloroprop-2-enoxy)pyridine?
The IUPAC name of 2-chloro-3-(3-chloroprop-2-enoxy)pyridine (CID 77056049) is 2-chloro-3-(3-chloroprop-2-enoxy)pyridine.
What is the SMILES notation for 2-chloro-3-(3-chloroprop-2-enoxy)pyridine?
The canonical SMILES for 2-chloro-3-(3-chloroprop-2-enoxy)pyridine is ClC=CCOc1cccnc1Cl.
What is the InChIKey of 2-chloro-3-(3-chloroprop-2-enoxy)pyridine?
The InChIKey is HZPKFIVSTVQVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO/c9-4-2-6-12-7-3-1-5-11-8(7)10/h1-5H,6H2.
What are the key properties of 2-chloro-3-(3-chloroprop-2-enoxy)pyridine?
2-chloro-3-(3-chloroprop-2-enoxy)pyridine has a molecular weight of 204.06 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(3-chloroprop-2-enoxy)pyridine is sourced from PubChem (CID 77056049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).