3-[1-chloro-3-(chloromethyl)oct-2-en-2-yl]pyridine

C14H19Cl2N — CID 67620865

IUPAC3-[1-chloro-3-(chloromethyl)oct-2-en-2-yl]pyridine
SMILESCCCCCC(CCl)=C(CCl)c1cccnc1
InChIInChI=1S/C14H19Cl2N/c1-2-3-4-6-12(9-15)14(10-16)13-7-5-8-17-11-13/h5,7-8,11H,2-4,6,9-10H2,1H3
InChIKeyBKYXXRQAYZUITH-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.89
Rot. Bonds7

About 3-[1-chloro-3-(chloromethyl)oct-2-en-2-yl]pyridine

3-[1-chloro-3-(chloromethyl)oct-2-en-2-yl]pyridine (PubChem CID 67620865) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is 3-[1-chloro-3-(chloromethyl)oct-2-en-2-yl]pyridine.

Molecular Properties

Compound Name3-[1-chloro-3-(chloromethyl)oct-2-en-2-yl]pyridine
PubChem CID67620865
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name3-[1-chloro-3-(chloromethyl)oct-2-en-2-yl]pyridine
SMILESCCCCCC(CCl)=C(CCl)c1cccnc1
InChIInChI=1S/C14H19Cl2N/c1-2-3-4-6-12(9-15)14(10-16)13-7-5-8-17-11-13/h5,7-8,11H,2-4,6,9-10H2,1H3
InChIKeyBKYXXRQAYZUITH-UHFFFAOYSA-N
XLogP4.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-pyridin-3-ylundecan-1-one
CID 19756112
1-pyridin-3-ylpentan-1-one
CID 12648543
N-[2-(hexadecanoylamino)ethyl]pyridine-3-carboxamide
CID 146558338
dodecanoyl pyridine-3-carboxylate
CID 23450156
N'-decanoylpyridine-3-carbohydrazide
CID 132992060
N'-dodecanoylpyridine-3-carbohydrazide
CID 171977470
N-octadecylpyridine-3-carboxamide
CID 3547337
1-pyridin-3-ylpentan-1-imine
CID 19790330
N-(1-pyridin-3-ylethylideneamino)nonanamide
CID 5136280
N-[(E)-1-phenylhexylideneamino]pyridine-3-carboxamide
CID 5337549
N-(1-pyridin-3-ylethylideneamino)heptanamide
CID 4162270
heptyl pyridine-3-carboxylate
CID 531638

Frequently Asked Questions

What is the IUPAC name of 3-[1-chloro-3-(chloromethyl)oct-2-en-2-yl]pyridine?
The IUPAC name of 3-[1-chloro-3-(chloromethyl)oct-2-en-2-yl]pyridine (CID 67620865) is 3-[1-chloro-3-(chloromethyl)oct-2-en-2-yl]pyridine.
What is the SMILES notation for 3-[1-chloro-3-(chloromethyl)oct-2-en-2-yl]pyridine?
The canonical SMILES for 3-[1-chloro-3-(chloromethyl)oct-2-en-2-yl]pyridine is CCCCCC(CCl)=C(CCl)c1cccnc1.
What is the InChIKey of 3-[1-chloro-3-(chloromethyl)oct-2-en-2-yl]pyridine?
The InChIKey is BKYXXRQAYZUITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-2-3-4-6-12(9-15)14(10-16)13-7-5-8-17-11-13/h5,7-8,11H,2-4,6,9-10H2,1H3.
What are the key properties of 3-[1-chloro-3-(chloromethyl)oct-2-en-2-yl]pyridine?
3-[1-chloro-3-(chloromethyl)oct-2-en-2-yl]pyridine has a molecular weight of 272.22 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-chloro-3-(chloromethyl)oct-2-en-2-yl]pyridine is sourced from PubChem (CID 67620865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).