2-chloro-5-[4-(4-ethylphenyl)-3-fluorophenyl]pyridine

C19H15ClFN — CID 19765578

IUPAC2-chloro-5-[4-(4-ethylphenyl)-3-fluorophenyl]pyridine
SMILESCCc1ccc(-c2ccc(-c3ccc(Cl)nc3)cc2F)cc1
InChIInChI=1S/C19H15ClFN/c1-2-13-3-5-14(6-4-13)17-9-7-15(11-18(17)21)16-8-10-19(20)22-12-16/h3-12H,2H2,1H3
InChIKeyQADPUKZKDQJSRC-UHFFFAOYSA-N
MW311.79 g/mol
LogP5.77
Rot. Bonds3

About 2-chloro-5-[4-(4-ethylphenyl)-3-fluorophenyl]pyridine

2-chloro-5-[4-(4-ethylphenyl)-3-fluorophenyl]pyridine (PubChem CID 19765578) has the molecular formula C19H15ClFN and a molecular weight of 311.79 g/mol. Its IUPAC name is 2-chloro-5-[4-(4-ethylphenyl)-3-fluorophenyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[4-(4-ethylphenyl)-3-fluorophenyl]pyridine
PubChem CID19765578
Molecular FormulaC19H15ClFN
Molecular Weight311.79 g/mol
Exact Mass311.09
IUPAC Name2-chloro-5-[4-(4-ethylphenyl)-3-fluorophenyl]pyridine
SMILESCCc1ccc(-c2ccc(-c3ccc(Cl)nc3)cc2F)cc1
InChIInChI=1S/C19H15ClFN/c1-2-13-3-5-14(6-4-13)17-9-7-15(11-18(17)21)16-8-10-19(20)22-12-16/h3-12H,2H2,1H3
InChIKeyQADPUKZKDQJSRC-UHFFFAOYSA-N
XLogP5.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.79
LogP ≤ 55.77
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-5-[4-(4-ethylphenyl)-3-fluorophenyl]pyridine?
The IUPAC name of 2-chloro-5-[4-(4-ethylphenyl)-3-fluorophenyl]pyridine (CID 19765578) is 2-chloro-5-[4-(4-ethylphenyl)-3-fluorophenyl]pyridine.
What is the SMILES notation for 2-chloro-5-[4-(4-ethylphenyl)-3-fluorophenyl]pyridine?
The canonical SMILES for 2-chloro-5-[4-(4-ethylphenyl)-3-fluorophenyl]pyridine is CCc1ccc(-c2ccc(-c3ccc(Cl)nc3)cc2F)cc1.
What is the InChIKey of 2-chloro-5-[4-(4-ethylphenyl)-3-fluorophenyl]pyridine?
The InChIKey is QADPUKZKDQJSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN/c1-2-13-3-5-14(6-4-13)17-9-7-15(11-18(17)21)16-8-10-19(20)22-12-16/h3-12H,2H2,1H3.
What are the key properties of 2-chloro-5-[4-(4-ethylphenyl)-3-fluorophenyl]pyridine?
2-chloro-5-[4-(4-ethylphenyl)-3-fluorophenyl]pyridine has a molecular weight of 311.79 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[4-(4-ethylphenyl)-3-fluorophenyl]pyridine is sourced from PubChem (CID 19765578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).