2-chloro-4-[(E)-pent-2-en-3-yl]pyridine

C10H12ClN — CID 90154949

IUPAC2-chloro-4-[(E)-pent-2-en-3-yl]pyridine
SMILESC/C=C(\CC)c1ccnc(Cl)c1
InChIInChI=1S/C10H12ClN/c1-3-8(4-2)9-5-6-12-10(11)7-9/h3,5-7H,4H2,1-2H3/b8-3+
InChIKeyVRBFATPECLLFKL-FPYGCLRLSA-N
MW181.67 g/mol
LogP3.55
Rot. Bonds2

About 2-chloro-4-[(E)-pent-2-en-3-yl]pyridine

2-chloro-4-[(E)-pent-2-en-3-yl]pyridine (PubChem CID 90154949) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is 2-chloro-4-[(E)-pent-2-en-3-yl]pyridine.

Molecular Properties

Compound Name2-chloro-4-[(E)-pent-2-en-3-yl]pyridine
PubChem CID90154949
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name2-chloro-4-[(E)-pent-2-en-3-yl]pyridine
SMILESC/C=C(\CC)c1ccnc(Cl)c1
InChIInChI=1S/C10H12ClN/c1-3-8(4-2)9-5-6-12-10(11)7-9/h3,5-7H,4H2,1-2H3/b8-3+
InChIKeyVRBFATPECLLFKL-FPYGCLRLSA-N
XLogP3.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.67
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-4-[(E)-pent-2-en-3-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(E)-pent-2-en-3-yl]pyridine?
The IUPAC name of 2-chloro-4-[(E)-pent-2-en-3-yl]pyridine (CID 90154949) is 2-chloro-4-[(E)-pent-2-en-3-yl]pyridine.
What is the SMILES notation for 2-chloro-4-[(E)-pent-2-en-3-yl]pyridine?
The canonical SMILES for 2-chloro-4-[(E)-pent-2-en-3-yl]pyridine is C/C=C(\CC)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-4-[(E)-pent-2-en-3-yl]pyridine?
The InChIKey is VRBFATPECLLFKL-FPYGCLRLSA-N. The full InChI is InChI=1S/C10H12ClN/c1-3-8(4-2)9-5-6-12-10(11)7-9/h3,5-7H,4H2,1-2H3/b8-3+.
What are the key properties of 2-chloro-4-[(E)-pent-2-en-3-yl]pyridine?
2-chloro-4-[(E)-pent-2-en-3-yl]pyridine has a molecular weight of 181.67 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(E)-pent-2-en-3-yl]pyridine is sourced from PubChem (CID 90154949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).