2,3-dichloro-5-(1-methoxyethenyl)pyridine

C8H7Cl2NO — CID 89298728

IUPAC2,3-dichloro-5-(1-methoxyethenyl)pyridine
SMILESC=C(OC)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C8H7Cl2NO/c1-5(12-2)6-3-7(9)8(10)11-4-6/h3-4H,1H2,2H3
InChIKeyMMJMZLXTFGNLLX-UHFFFAOYSA-N
MW204.06 g/mol
LogP3.01
Rot. Bonds2

About 2,3-dichloro-5-(1-methoxyethenyl)pyridine

2,3-dichloro-5-(1-methoxyethenyl)pyridine (PubChem CID 89298728) has the molecular formula C8H7Cl2NO and a molecular weight of 204.06 g/mol. Its IUPAC name is 2,3-dichloro-5-(1-methoxyethenyl)pyridine.

Molecular Properties

Compound Name2,3-dichloro-5-(1-methoxyethenyl)pyridine
PubChem CID89298728
Molecular FormulaC8H7Cl2NO
Molecular Weight204.06 g/mol
Exact Mass202.99
IUPAC Name2,3-dichloro-5-(1-methoxyethenyl)pyridine
SMILESC=C(OC)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C8H7Cl2NO/c1-5(12-2)6-3-7(9)8(10)11-4-6/h3-4H,1H2,2H3
InChIKeyMMJMZLXTFGNLLX-UHFFFAOYSA-N
XLogP3.01
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.06
LogP ≤ 53.01
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-(1-methoxyethenyl)-3-nitropyridine;ethane
CID 144796230
5,6-dichloro-N-methoxypyridine-3-carboxamide;ethane
CID 143700585
1-(5,6-dichloro-3-pyridinyl)-1-N,2-N-dimethoxypropane-1,2-diimine
CID 59967580
5,6-dichloro-N-[(2-methylpropan-2-yl)oxy]pyridine-3-carboxamide
CID 82723834
1-(5,6-dichloro-3-pyridinyl)-2-methylpropan-1-one
CID 87574101
N-(2-bromoprop-2-enyl)-5,6-dichloropyridine-3-carboxamide
CID 47439184
(4-methoxyphenyl) 5,6-dichloropyridine-3-carboxylate
CID 8881479
methyl 3-[(5,6-dichloropyridine-3-carbonyl)-methylamino]propanoate
CID 55030990
3-(5,6-dichloro-3-pyridinyl)-3-oxopropanoic acid
CID 170886990
5,6-dichloro-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 4856255
(4-methylcyclohexyl) 5,6-dichloropyridine-3-carboxylate
CID 60715637
(2-methoxyphenyl) 5,6-dichloropyridine-3-carboxylate
CID 8778526

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-5-(1-methoxyethenyl)pyridine?
The IUPAC name of 2,3-dichloro-5-(1-methoxyethenyl)pyridine (CID 89298728) is 2,3-dichloro-5-(1-methoxyethenyl)pyridine.
What is the SMILES notation for 2,3-dichloro-5-(1-methoxyethenyl)pyridine?
The canonical SMILES for 2,3-dichloro-5-(1-methoxyethenyl)pyridine is C=C(OC)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 2,3-dichloro-5-(1-methoxyethenyl)pyridine?
The InChIKey is MMJMZLXTFGNLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO/c1-5(12-2)6-3-7(9)8(10)11-4-6/h3-4H,1H2,2H3.
What are the key properties of 2,3-dichloro-5-(1-methoxyethenyl)pyridine?
2,3-dichloro-5-(1-methoxyethenyl)pyridine has a molecular weight of 204.06 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-5-(1-methoxyethenyl)pyridine is sourced from PubChem (CID 89298728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).