2-chloro-5-(4-chlorobut-1-enyl)-4-methylpyridine

C10H11Cl2N — CID 170498844

IUPAC2-chloro-5-(4-chlorobut-1-enyl)-4-methylpyridine
SMILESCc1cc(Cl)ncc1C=CCCCl
InChIInChI=1S/C10H11Cl2N/c1-8-6-10(12)13-7-9(8)4-2-3-5-11/h2,4,6-7H,3,5H2,1H3
InChIKeyHYLSGDCFSRKNRM-UHFFFAOYSA-N
MW216.11 g/mol
LogP3.69
Rot. Bonds3

About 2-chloro-5-(4-chlorobut-1-enyl)-4-methylpyridine

2-chloro-5-(4-chlorobut-1-enyl)-4-methylpyridine (PubChem CID 170498844) has the molecular formula C10H11Cl2N and a molecular weight of 216.11 g/mol. Its IUPAC name is 2-chloro-5-(4-chlorobut-1-enyl)-4-methylpyridine.

Molecular Properties

Compound Name2-chloro-5-(4-chlorobut-1-enyl)-4-methylpyridine
PubChem CID170498844
Molecular FormulaC10H11Cl2N
Molecular Weight216.11 g/mol
Exact Mass215.03
IUPAC Name2-chloro-5-(4-chlorobut-1-enyl)-4-methylpyridine
SMILESCc1cc(Cl)ncc1C=CCCCl
InChIInChI=1S/C10H11Cl2N/c1-8-6-10(12)13-7-9(8)4-2-3-5-11/h2,4,6-7H,3,5H2,1H3
InChIKeyHYLSGDCFSRKNRM-UHFFFAOYSA-N
XLogP3.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.11
LogP ≤ 53.69
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

5-(4-chlorobut-1-enyl)-4-methylpyridin-2-amine
CID 170498810
3-(6-chloro-4-methyl-3-pyridinyl)prop-2-en-1-ol
CID 169453054
4-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide
CID 170797595
1-[(E)-4-chlorobut-1-enyl]-2,4-dimethylbenzene
CID 82076018
2-chloro-5-(4-chlorobut-1-enyl)pyrimidin-4-amine
CID 170498928
3-[(E)-4-chlorobut-1-enyl]-4-methylfuran
CID 131241092
4-(6-amino-4-methyl-3-pyridinyl)but-3-en-1-ol
CID 170476221
[4-(4-chlorobut-1-enyl)-3-methylphenyl]methanol
CID 170499067
2-(4-chlorobut-1-enyl)-1,3,5-trimethylbenzene
CID 170498967
3-[(E)-4-chlorobut-1-enyl]-1,2,4,5-tetramethylbenzene
CID 82080409
3-(4-chlorobut-1-enyl)-4-methylaniline
CID 170498859
2-(4-chlorobut-1-enyl)-4-methylaniline
CID 170498863

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-chlorobut-1-enyl)-4-methylpyridine?
The IUPAC name of 2-chloro-5-(4-chlorobut-1-enyl)-4-methylpyridine (CID 170498844) is 2-chloro-5-(4-chlorobut-1-enyl)-4-methylpyridine.
What is the SMILES notation for 2-chloro-5-(4-chlorobut-1-enyl)-4-methylpyridine?
The canonical SMILES for 2-chloro-5-(4-chlorobut-1-enyl)-4-methylpyridine is Cc1cc(Cl)ncc1C=CCCCl.
What is the InChIKey of 2-chloro-5-(4-chlorobut-1-enyl)-4-methylpyridine?
The InChIKey is HYLSGDCFSRKNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N/c1-8-6-10(12)13-7-9(8)4-2-3-5-11/h2,4,6-7H,3,5H2,1H3.
What are the key properties of 2-chloro-5-(4-chlorobut-1-enyl)-4-methylpyridine?
2-chloro-5-(4-chlorobut-1-enyl)-4-methylpyridine has a molecular weight of 216.11 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-chlorobut-1-enyl)-4-methylpyridine is sourced from PubChem (CID 170498844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).