2-chloro-4-pent-2-en-3-ylpyridine

C10H12ClN — CID 123768437

IUPAC2-chloro-4-pent-2-en-3-ylpyridine
SMILESCC=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
InChIKeyVRBFATPECLLFKL-UHFFFAOYSA-N
MW181.67 g/mol
LogP3.55
Rot. Bonds2

About 2-chloro-4-pent-2-en-3-ylpyridine

2-chloro-4-pent-2-en-3-ylpyridine (PubChem CID 123768437) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is 2-chloro-4-pent-2-en-3-ylpyridine.

Molecular Properties

Compound Name2-chloro-4-pent-2-en-3-ylpyridine
PubChem CID123768437
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name2-chloro-4-pent-2-en-3-ylpyridine
SMILESCC=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
InChIKeyVRBFATPECLLFKL-UHFFFAOYSA-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'}

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Related Compounds

2-chloro-4-[(E)-pent-2-en-3-yl]pyridine
CID 90154949
1-(2-chloro-4-pyridinyl)-2-ethylbutan-1-one
CID 24723737
2-chloro-4-(1-ethylperoxyethenyl)pyridine
CID 88721934
propyl 2-chloropyridine-4-carboxylate
CID 24723709
1-(2-chloro-4-pyridinyl)-2,2-diethoxyethanone
CID 162417624
butanamide;2-chloropyridine-4-carboxamide
CID 174570819
1-(2-chloro-4-pyridinyl)-2-(methylamino)ethanone
CID 82655374
1-(2-chloro-4-pyridinyl)-2,2-dimethylpropan-1-one
CID 24723731
(NE,R)-N-[1-(2-chloro-4-pyridinyl)propylidene]-2-methylpropane-2-sulfinamide
CID 170702357
1-(2-chloro-4-pyridinyl)-3-ethylhexan-1-one
CID 131863187
2-chloro-N,N-dipentylpyridine-4-carboxamide
CID 60776125
(2-chloro-4-pyridinyl)-triethylsilane
CID 151725839

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-pent-2-en-3-ylpyridine?
The IUPAC name of 2-chloro-4-pent-2-en-3-ylpyridine (CID 123768437) is 2-chloro-4-pent-2-en-3-ylpyridine.
What is the SMILES notation for 2-chloro-4-pent-2-en-3-ylpyridine?
The canonical SMILES for 2-chloro-4-pent-2-en-3-ylpyridine is CC=C(CC)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-4-pent-2-en-3-ylpyridine?
The InChIKey is VRBFATPECLLFKL-UHFFFAOYSA-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.
What are the key properties of 2-chloro-4-pent-2-en-3-ylpyridine?
2-chloro-4-pent-2-en-3-ylpyridine 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-pent-2-en-3-ylpyridine is sourced from PubChem (CID 123768437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).