2-chloro-3-[3-(3-chloro-4-fluorophenyl)prop-2-enyl]pyridine

C14H10Cl2FN — CID 173075548

IUPAC2-chloro-3-[3-(3-chloro-4-fluorophenyl)prop-2-enyl]pyridine
SMILESFc1ccc(C=CCc2cccnc2Cl)cc1Cl
InChIInChI=1S/C14H10Cl2FN/c15-12-9-10(6-7-13(12)17)3-1-4-11-5-2-8-18-14(11)16/h1-3,5-9H,4H2
InChIKeyAZFCNKFEHQAJHC-UHFFFAOYSA-N
MW282.15 g/mol
LogP4.78
Rot. Bonds3

About 2-chloro-3-[3-(3-chloro-4-fluorophenyl)prop-2-enyl]pyridine

2-chloro-3-[3-(3-chloro-4-fluorophenyl)prop-2-enyl]pyridine (PubChem CID 173075548) has the molecular formula C14H10Cl2FN and a molecular weight of 282.15 g/mol. Its IUPAC name is 2-chloro-3-[3-(3-chloro-4-fluorophenyl)prop-2-enyl]pyridine.

Molecular Properties

Compound Name2-chloro-3-[3-(3-chloro-4-fluorophenyl)prop-2-enyl]pyridine
PubChem CID173075548
Molecular FormulaC14H10Cl2FN
Molecular Weight282.15 g/mol
Exact Mass281.02
IUPAC Name2-chloro-3-[3-(3-chloro-4-fluorophenyl)prop-2-enyl]pyridine
SMILESFc1ccc(C=CCc2cccnc2Cl)cc1Cl
InChIInChI=1S/C14H10Cl2FN/c15-12-9-10(6-7-13(12)17)3-1-4-11-5-2-8-18-14(11)16/h1-3,5-9H,4H2
InChIKeyAZFCNKFEHQAJHC-UHFFFAOYSA-N
XLogP4.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.15
LogP ≤ 54.78
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[3-(3-chloro-4-fluorophenyl)prop-2-enyl]pyridine?
The IUPAC name of 2-chloro-3-[3-(3-chloro-4-fluorophenyl)prop-2-enyl]pyridine (CID 173075548) is 2-chloro-3-[3-(3-chloro-4-fluorophenyl)prop-2-enyl]pyridine.
What is the SMILES notation for 2-chloro-3-[3-(3-chloro-4-fluorophenyl)prop-2-enyl]pyridine?
The canonical SMILES for 2-chloro-3-[3-(3-chloro-4-fluorophenyl)prop-2-enyl]pyridine is Fc1ccc(C=CCc2cccnc2Cl)cc1Cl.
What is the InChIKey of 2-chloro-3-[3-(3-chloro-4-fluorophenyl)prop-2-enyl]pyridine?
The InChIKey is AZFCNKFEHQAJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FN/c15-12-9-10(6-7-13(12)17)3-1-4-11-5-2-8-18-14(11)16/h1-3,5-9H,4H2.
What are the key properties of 2-chloro-3-[3-(3-chloro-4-fluorophenyl)prop-2-enyl]pyridine?
2-chloro-3-[3-(3-chloro-4-fluorophenyl)prop-2-enyl]pyridine has a molecular weight of 282.15 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[3-(3-chloro-4-fluorophenyl)prop-2-enyl]pyridine is sourced from PubChem (CID 173075548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).