2-chloro-5-(2-prop-2-enoxypent-4-en-2-yl)pyridine

C13H16ClNO — CID 164882420

IUPAC2-chloro-5-(2-prop-2-enoxypent-4-en-2-yl)pyridine
SMILESC=CCOC(C)(CC=C)c1ccc(Cl)nc1
InChIInChI=1S/C13H16ClNO/c1-4-8-13(3,16-9-5-2)11-6-7-12(14)15-10-11/h4-7,10H,1-2,8-9H2,3H3
InChIKeyXXEJFEFAPRQSAG-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.73
Rot. Bonds6

About 2-chloro-5-(2-prop-2-enoxypent-4-en-2-yl)pyridine

2-chloro-5-(2-prop-2-enoxypent-4-en-2-yl)pyridine (PubChem CID 164882420) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 2-chloro-5-(2-prop-2-enoxypent-4-en-2-yl)pyridine.

Molecular Properties

Compound Name2-chloro-5-(2-prop-2-enoxypent-4-en-2-yl)pyridine
PubChem CID164882420
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name2-chloro-5-(2-prop-2-enoxypent-4-en-2-yl)pyridine
SMILESC=CCOC(C)(CC=C)c1ccc(Cl)nc1
InChIInChI=1S/C13H16ClNO/c1-4-8-13(3,16-9-5-2)11-6-7-12(14)15-10-11/h4-7,10H,1-2,8-9H2,3H3
InChIKeyXXEJFEFAPRQSAG-UHFFFAOYSA-N
XLogP3.73
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-prop-2-enoxypent-4-en-2-yl)pyridine?
The IUPAC name of 2-chloro-5-(2-prop-2-enoxypent-4-en-2-yl)pyridine (CID 164882420) is 2-chloro-5-(2-prop-2-enoxypent-4-en-2-yl)pyridine.
What is the SMILES notation for 2-chloro-5-(2-prop-2-enoxypent-4-en-2-yl)pyridine?
The canonical SMILES for 2-chloro-5-(2-prop-2-enoxypent-4-en-2-yl)pyridine is C=CCOC(C)(CC=C)c1ccc(Cl)nc1.
What is the InChIKey of 2-chloro-5-(2-prop-2-enoxypent-4-en-2-yl)pyridine?
The InChIKey is XXEJFEFAPRQSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-4-8-13(3,16-9-5-2)11-6-7-12(14)15-10-11/h4-7,10H,1-2,8-9H2,3H3.
What are the key properties of 2-chloro-5-(2-prop-2-enoxypent-4-en-2-yl)pyridine?
2-chloro-5-(2-prop-2-enoxypent-4-en-2-yl)pyridine has a molecular weight of 237.73 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-prop-2-enoxypent-4-en-2-yl)pyridine is sourced from PubChem (CID 164882420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).