2-chloro-4-(2-prop-1-enylphenoxy)pyridine

C14H12ClNO — CID 77005915

IUPAC2-chloro-4-(2-prop-1-enylphenoxy)pyridine
SMILESCC=Cc1ccccc1Oc1ccnc(Cl)c1
InChIInChI=1S/C14H12ClNO/c1-2-5-11-6-3-4-7-13(11)17-12-8-9-16-14(15)10-12/h2-10H,1H3
InChIKeyFSZKNKZWIGRMDU-UHFFFAOYSA-N
MW245.71 g/mol
LogP4.56
Rot. Bonds3

About 2-chloro-4-(2-prop-1-enylphenoxy)pyridine

2-chloro-4-(2-prop-1-enylphenoxy)pyridine (PubChem CID 77005915) has the molecular formula C14H12ClNO and a molecular weight of 245.71 g/mol. Its IUPAC name is 2-chloro-4-(2-prop-1-enylphenoxy)pyridine.

Molecular Properties

Compound Name2-chloro-4-(2-prop-1-enylphenoxy)pyridine
PubChem CID77005915
Molecular FormulaC14H12ClNO
Molecular Weight245.71 g/mol
Exact Mass245.06
IUPAC Name2-chloro-4-(2-prop-1-enylphenoxy)pyridine
SMILESCC=Cc1ccccc1Oc1ccnc(Cl)c1
InChIInChI=1S/C14H12ClNO/c1-2-5-11-6-3-4-7-13(11)17-12-8-9-16-14(15)10-12/h2-10H,1H3
InChIKeyFSZKNKZWIGRMDU-UHFFFAOYSA-N
XLogP4.56
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-prop-1-enylphenoxy)pyridine?
The IUPAC name of 2-chloro-4-(2-prop-1-enylphenoxy)pyridine (CID 77005915) is 2-chloro-4-(2-prop-1-enylphenoxy)pyridine.
What is the SMILES notation for 2-chloro-4-(2-prop-1-enylphenoxy)pyridine?
The canonical SMILES for 2-chloro-4-(2-prop-1-enylphenoxy)pyridine is CC=Cc1ccccc1Oc1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-4-(2-prop-1-enylphenoxy)pyridine?
The InChIKey is FSZKNKZWIGRMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO/c1-2-5-11-6-3-4-7-13(11)17-12-8-9-16-14(15)10-12/h2-10H,1H3.
What are the key properties of 2-chloro-4-(2-prop-1-enylphenoxy)pyridine?
2-chloro-4-(2-prop-1-enylphenoxy)pyridine has a molecular weight of 245.71 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-prop-1-enylphenoxy)pyridine is sourced from PubChem (CID 77005915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).