2-chloro-5-[3-fluoro-4-(4-heptylphenyl)phenyl]pyridine

C24H25ClFN — CID 19765564

IUPAC2-chloro-5-[3-fluoro-4-(4-heptylphenyl)phenyl]pyridine
SMILESCCCCCCCc1ccc(-c2ccc(-c3ccc(Cl)nc3)cc2F)cc1
InChIInChI=1S/C24H25ClFN/c1-2-3-4-5-6-7-18-8-10-19(11-9-18)22-14-12-20(16-23(22)26)21-13-15-24(25)27-17-21/h8-17H,2-7H2,1H3
InChIKeyFDZDXRFQPQULJU-UHFFFAOYSA-N
MW381.92 g/mol
LogP7.72
Rot. Bonds8

About 2-chloro-5-[3-fluoro-4-(4-heptylphenyl)phenyl]pyridine

2-chloro-5-[3-fluoro-4-(4-heptylphenyl)phenyl]pyridine (PubChem CID 19765564) has the molecular formula C24H25ClFN and a molecular weight of 381.92 g/mol. Its IUPAC name is 2-chloro-5-[3-fluoro-4-(4-heptylphenyl)phenyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[3-fluoro-4-(4-heptylphenyl)phenyl]pyridine
PubChem CID19765564
Molecular FormulaC24H25ClFN
Molecular Weight381.92 g/mol
Exact Mass381.17
IUPAC Name2-chloro-5-[3-fluoro-4-(4-heptylphenyl)phenyl]pyridine
SMILESCCCCCCCc1ccc(-c2ccc(-c3ccc(Cl)nc3)cc2F)cc1
InChIInChI=1S/C24H25ClFN/c1-2-3-4-5-6-7-18-8-10-19(11-9-18)22-14-12-20(16-23(22)26)21-13-15-24(25)27-17-21/h8-17H,2-7H2,1H3
InChIKeyFDZDXRFQPQULJU-UHFFFAOYSA-N
XLogP7.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.92
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[3-fluoro-4-(4-heptylphenyl)phenyl]pyridine?
The IUPAC name of 2-chloro-5-[3-fluoro-4-(4-heptylphenyl)phenyl]pyridine (CID 19765564) is 2-chloro-5-[3-fluoro-4-(4-heptylphenyl)phenyl]pyridine.
What is the SMILES notation for 2-chloro-5-[3-fluoro-4-(4-heptylphenyl)phenyl]pyridine?
The canonical SMILES for 2-chloro-5-[3-fluoro-4-(4-heptylphenyl)phenyl]pyridine is CCCCCCCc1ccc(-c2ccc(-c3ccc(Cl)nc3)cc2F)cc1.
What is the InChIKey of 2-chloro-5-[3-fluoro-4-(4-heptylphenyl)phenyl]pyridine?
The InChIKey is FDZDXRFQPQULJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN/c1-2-3-4-5-6-7-18-8-10-19(11-9-18)22-14-12-20(16-23(22)26)21-13-15-24(25)27-17-21/h8-17H,2-7H2,1H3.
What are the key properties of 2-chloro-5-[3-fluoro-4-(4-heptylphenyl)phenyl]pyridine?
2-chloro-5-[3-fluoro-4-(4-heptylphenyl)phenyl]pyridine has a molecular weight of 381.92 g/mol, XLogP of 7.72, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[3-fluoro-4-(4-heptylphenyl)phenyl]pyridine is sourced from PubChem (CID 19765564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).