2,3-dichloro-5-(4-chlorobut-1-enyl)pyridine

C9H8Cl3N — CID 170498876

IUPAC2,3-dichloro-5-(4-chlorobut-1-enyl)pyridine
SMILESClCCC=Cc1cnc(Cl)c(Cl)c1
InChIInChI=1S/C9H8Cl3N/c10-4-2-1-3-7-5-8(11)9(12)13-6-7/h1,3,5-6H,2,4H2
InChIKeyYTPGVSIKJWPYJA-UHFFFAOYSA-N
MW236.53 g/mol
LogP4.03
Rot. Bonds3

About 2,3-dichloro-5-(4-chlorobut-1-enyl)pyridine

2,3-dichloro-5-(4-chlorobut-1-enyl)pyridine (PubChem CID 170498876) has the molecular formula C9H8Cl3N and a molecular weight of 236.53 g/mol. Its IUPAC name is 2,3-dichloro-5-(4-chlorobut-1-enyl)pyridine.

Molecular Properties

Compound Name2,3-dichloro-5-(4-chlorobut-1-enyl)pyridine
PubChem CID170498876
Molecular FormulaC9H8Cl3N
Molecular Weight236.53 g/mol
Exact Mass234.97
IUPAC Name2,3-dichloro-5-(4-chlorobut-1-enyl)pyridine
SMILESClCCC=Cc1cnc(Cl)c(Cl)c1
InChIInChI=1S/C9H8Cl3N/c10-4-2-1-3-7-5-8(11)9(12)13-6-7/h1,3,5-6H,2,4H2
InChIKeyYTPGVSIKJWPYJA-UHFFFAOYSA-N
XLogP4.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.53
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(5,6-dichloro-3-pyridinyl)prop-2-en-1-amine
CID 169463327
5,6-dichloropyridine-3-carbaldehyde
CID 11535654
2-chloro-4-(4-chlorobut-1-enyl)-1-methylbenzene
CID 170498696
3-(5,6-dichloro-3-pyridinyl)prop-2-enamide
CID 169481566
5-(4-chlorobut-1-enyl)-3-methoxypyridin-2-amine
CID 170499115
3-chloro-4-(4-chlorobut-1-enyl)benzaldehyde
CID 170499030
5-(2-azidoethenyl)-2,3-dichloropyridine
CID 123496215
1-chloro-3-(4-chlorobut-1-enyl)-5-fluorobenzene
CID 170498718
1-bromo-3-chloro-5-(4-chlorobut-1-enyl)benzene
CID 170500180
5-(4-chlorobut-1-enyl)pyrimidine-2-carbonitrile
CID 170498937
2-chloro-4-(4-chlorobut-1-enyl)-1-(trifluoromethyl)benzene
CID 170499629
3-(6-chloro-5-fluoro-3-pyridinyl)prop-2-en-1-ol
CID 169453082

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-5-(4-chlorobut-1-enyl)pyridine?
The IUPAC name of 2,3-dichloro-5-(4-chlorobut-1-enyl)pyridine (CID 170498876) is 2,3-dichloro-5-(4-chlorobut-1-enyl)pyridine.
What is the SMILES notation for 2,3-dichloro-5-(4-chlorobut-1-enyl)pyridine?
The canonical SMILES for 2,3-dichloro-5-(4-chlorobut-1-enyl)pyridine is ClCCC=Cc1cnc(Cl)c(Cl)c1.
What is the InChIKey of 2,3-dichloro-5-(4-chlorobut-1-enyl)pyridine?
The InChIKey is YTPGVSIKJWPYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl3N/c10-4-2-1-3-7-5-8(11)9(12)13-6-7/h1,3,5-6H,2,4H2.
What are the key properties of 2,3-dichloro-5-(4-chlorobut-1-enyl)pyridine?
2,3-dichloro-5-(4-chlorobut-1-enyl)pyridine has a molecular weight of 236.53 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-5-(4-chlorobut-1-enyl)pyridine is sourced from PubChem (CID 170498876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).