2-chloro-4-(pent-4-enoxymethyl)pyridine

C11H14ClNO — CID 79114699

IUPAC2-chloro-4-(pent-4-enoxymethyl)pyridine
SMILESC=CCCCOCc1ccnc(Cl)c1
InChIInChI=1S/C11H14ClNO/c1-2-3-4-7-14-9-10-5-6-13-11(12)8-10/h2,5-6,8H,1,3-4,7,9H2
InChIKeyZLKIYZWJCCRJNY-UHFFFAOYSA-N
MW211.69 g/mol
LogP3.22
Rot. Bonds6

About 2-chloro-4-(pent-4-enoxymethyl)pyridine

2-chloro-4-(pent-4-enoxymethyl)pyridine (PubChem CID 79114699) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 2-chloro-4-(pent-4-enoxymethyl)pyridine.

Molecular Properties

Compound Name2-chloro-4-(pent-4-enoxymethyl)pyridine
PubChem CID79114699
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name2-chloro-4-(pent-4-enoxymethyl)pyridine
SMILESC=CCCCOCc1ccnc(Cl)c1
InChIInChI=1S/C11H14ClNO/c1-2-3-4-7-14-9-10-5-6-13-11(12)8-10/h2,5-6,8H,1,3-4,7,9H2
InChIKeyZLKIYZWJCCRJNY-UHFFFAOYSA-N
XLogP3.22
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-(4,4,4-trifluorobutoxymethyl)pyridine
CID 82788913
2-chloro-4-(2-propoxyethoxymethyl)pyridine
CID 63684727
2-chloro-4-(2-phenylethoxymethyl)pyridine
CID 114999592
2-chloro-4-(3,3-dimethylbutoxymethyl)pyridine
CID 66231568
2-chloro-4-(2-pyridin-2-ylethoxymethyl)pyridine
CID 62471234
2-chloro-4-(2,2,2-trifluoroethoxymethyl)pyridine
CID 62470096
2-chloro-4-[(2-chlorophenyl)methoxymethyl]pyridine
CID 62472103
4-(prop-2-enoxymethyl)-2-[4-(prop-2-enoxymethyl)-2-pyridinyl]pyridine
CID 102298376
N-[[3-(pent-4-enoxymethyl)phenyl]methyl]ethanamine
CID 79112977
N-methyl-1-[4-(pent-4-enoxymethyl)phenyl]methanamine
CID 79114272
2-chloro-4-(chloromethyl)pyridine
CID 11126573
4-pent-4-enyl-2-(4-pent-4-enyl-2-pyridinyl)pyridine
CID 12034628

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(pent-4-enoxymethyl)pyridine?
The IUPAC name of 2-chloro-4-(pent-4-enoxymethyl)pyridine (CID 79114699) is 2-chloro-4-(pent-4-enoxymethyl)pyridine.
What is the SMILES notation for 2-chloro-4-(pent-4-enoxymethyl)pyridine?
The canonical SMILES for 2-chloro-4-(pent-4-enoxymethyl)pyridine is C=CCCCOCc1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-4-(pent-4-enoxymethyl)pyridine?
The InChIKey is ZLKIYZWJCCRJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-2-3-4-7-14-9-10-5-6-13-11(12)8-10/h2,5-6,8H,1,3-4,7,9H2.
What are the key properties of 2-chloro-4-(pent-4-enoxymethyl)pyridine?
2-chloro-4-(pent-4-enoxymethyl)pyridine has a molecular weight of 211.69 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(pent-4-enoxymethyl)pyridine is sourced from PubChem (CID 79114699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).