2,6-dichloro-3-(1-methoxyethenyl)pyridine

C8H7Cl2NO — CID 87903575

IUPAC2,6-dichloro-3-(1-methoxyethenyl)pyridine
SMILESC=C(OC)c1ccc(Cl)nc1Cl
InChIInChI=1S/C8H7Cl2NO/c1-5(12-2)6-3-4-7(9)11-8(6)10/h3-4H,1H2,2H3
InChIKeyXKUSJEDYVPXXAG-UHFFFAOYSA-N
MW204.06 g/mol
LogP3.01
Rot. Bonds2

About 2,6-dichloro-3-(1-methoxyethenyl)pyridine

2,6-dichloro-3-(1-methoxyethenyl)pyridine (PubChem CID 87903575) has the molecular formula C8H7Cl2NO and a molecular weight of 204.06 g/mol. Its IUPAC name is 2,6-dichloro-3-(1-methoxyethenyl)pyridine.

Molecular Properties

Compound Name2,6-dichloro-3-(1-methoxyethenyl)pyridine
PubChem CID87903575
Molecular FormulaC8H7Cl2NO
Molecular Weight204.06 g/mol
Exact Mass202.99
IUPAC Name2,6-dichloro-3-(1-methoxyethenyl)pyridine
SMILESC=C(OC)c1ccc(Cl)nc1Cl
InChIInChI=1S/C8H7Cl2NO/c1-5(12-2)6-3-4-7(9)11-8(6)10/h3-4H,1H2,2H3
InChIKeyXKUSJEDYVPXXAG-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

2,6-dichloropyridine-3-carboxylic acid;methanol;methyl 2,6-dichloropyridine-3-carboxylate;thionyl dichloride
CID 160688550
2-chloro-3-(1-ethoxyethenyl)-6-methylpyridine
CID 137371492
2-hydroxypropan-2-yl 2,6-dichloropyridine-3-carboxylate
CID 143641342
2,6-dichloropyridine-3-carboxamide
CID 22142778
methyl 3-[(2,6-dichloropyridine-3-carbonyl)-methylamino]propanoate
CID 106993631
2,6-dichloro-N-methylpyridin-3-amine
CID 15164128
(4-methylcyclohexyl) 2,6-dichloropyridine-3-carboxylate
CID 106994582
2-(bromomethyl)-6-chloro-3-(1-ethoxyethenyl)pyridine
CID 166887001
N-(2-acetamidoethyl)-2,6-dichloropyridine-3-carboxamide
CID 106993229
2,6-dichloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyridine-3-carboxamide
CID 114127211
(2,6-dichloro-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106994520
(2,6-dichloro-3-pyridinyl)-(4-methylphenyl)methanone
CID 58565891

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-(1-methoxyethenyl)pyridine?
The IUPAC name of 2,6-dichloro-3-(1-methoxyethenyl)pyridine (CID 87903575) is 2,6-dichloro-3-(1-methoxyethenyl)pyridine.
What is the SMILES notation for 2,6-dichloro-3-(1-methoxyethenyl)pyridine?
The canonical SMILES for 2,6-dichloro-3-(1-methoxyethenyl)pyridine is C=C(OC)c1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-3-(1-methoxyethenyl)pyridine?
The InChIKey is XKUSJEDYVPXXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO/c1-5(12-2)6-3-4-7(9)11-8(6)10/h3-4H,1H2,2H3.
What are the key properties of 2,6-dichloro-3-(1-methoxyethenyl)pyridine?
2,6-dichloro-3-(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 2,6-dichloro-3-(1-methoxyethenyl)pyridine is sourced from PubChem (CID 87903575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).