2,4-dichloro-5-[(Z)-1-ethoxybut-1-enyl]pyridine

C11H13Cl2NO — CID 144735710

IUPAC2,4-dichloro-5-[(Z)-1-ethoxybut-1-enyl]pyridine
SMILESCC/C=C(\OCC)c1cnc(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2NO/c1-3-5-10(15-4-2)8-7-14-11(13)6-9(8)12/h5-7H,3-4H2,1-2H3/b10-5-
InChIKeyYNOJXMNAZFSGSZ-YHYXMXQVSA-N
MW246.14 g/mol
LogP4.18
Rot. Bonds4

About 2,4-dichloro-5-[(Z)-1-ethoxybut-1-enyl]pyridine

2,4-dichloro-5-[(Z)-1-ethoxybut-1-enyl]pyridine (PubChem CID 144735710) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is 2,4-dichloro-5-[(Z)-1-ethoxybut-1-enyl]pyridine.

Molecular Properties

Compound Name2,4-dichloro-5-[(Z)-1-ethoxybut-1-enyl]pyridine
PubChem CID144735710
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name2,4-dichloro-5-[(Z)-1-ethoxybut-1-enyl]pyridine
SMILESCC/C=C(\OCC)c1cnc(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2NO/c1-3-5-10(15-4-2)8-7-14-11(13)6-9(8)12/h5-7H,3-4H2,1-2H3/b10-5-
InChIKeyYNOJXMNAZFSGSZ-YHYXMXQVSA-N
XLogP4.18
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[(Z)-1-ethoxybut-1-enyl]-N-methylpyridin-4-amine
CID 134484591
[1-(4,6-dichloro-3-pyridinyl)-3-ethoxy-1,3-dioxopropan-2-ylidene]-dimethylazanium
CID 123453083
ethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate
CID 163257915
(Z)-1-[4-[(E)-4-aminohex-2-en-3-yl]-6-chloro-3-pyridinyl]but-1-en-1-ol
CID 165117840
6-chloro-4-ethoxycarbonylpyridine-3-carboxylic acid
CID 163257477
2-chloro-5-(1-ethoxyethenyl)-4-methoxypyridine
CID 145142821
6-chloro-3-[(E)-1-ethoxybut-1-enyl]-N-methylpyridazin-4-amine
CID 167240938
diethyl 2-[(4,6-dichloro-3-pyridinyl)methyl]propanedioate
CID 116519757
ethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
CID 20627001
ethyl 6-chloro-4-(2-chlorophenyl)pyridine-3-carboxylate
CID 87890311
ethyl (Z)-3-(4,6-dichloro-3-pyridinyl)-3-hydroxy-2-[(E)-1,3-thiazol-2-yliminomethyl]prop-2-enoate
CID 135404771
ethyl 6-chloro-4-nitropyridine-3-carboxylate
CID 133097776

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[(Z)-1-ethoxybut-1-enyl]pyridine?
The IUPAC name of 2,4-dichloro-5-[(Z)-1-ethoxybut-1-enyl]pyridine (CID 144735710) is 2,4-dichloro-5-[(Z)-1-ethoxybut-1-enyl]pyridine.
What is the SMILES notation for 2,4-dichloro-5-[(Z)-1-ethoxybut-1-enyl]pyridine?
The canonical SMILES for 2,4-dichloro-5-[(Z)-1-ethoxybut-1-enyl]pyridine is CC/C=C(\OCC)c1cnc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-[(Z)-1-ethoxybut-1-enyl]pyridine?
The InChIKey is YNOJXMNAZFSGSZ-YHYXMXQVSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c1-3-5-10(15-4-2)8-7-14-11(13)6-9(8)12/h5-7H,3-4H2,1-2H3/b10-5-.
What are the key properties of 2,4-dichloro-5-[(Z)-1-ethoxybut-1-enyl]pyridine?
2,4-dichloro-5-[(Z)-1-ethoxybut-1-enyl]pyridine has a molecular weight of 246.14 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[(Z)-1-ethoxybut-1-enyl]pyridine is sourced from PubChem (CID 144735710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).