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

C23H23ClFN — CID 19765435

IUPAC2-chloro-5-[3-fluoro-4-(4-hexylphenyl)phenyl]pyridine
SMILESCCCCCCc1ccc(-c2ccc(-c3ccc(Cl)nc3)cc2F)cc1
InChIInChI=1S/C23H23ClFN/c1-2-3-4-5-6-17-7-9-18(10-8-17)21-13-11-19(15-22(21)25)20-12-14-23(24)26-16-20/h7-16H,2-6H2,1H3
InChIKeyCDQSJSPAGLZRBA-UHFFFAOYSA-N
MW367.90 g/mol
LogP7.33
Rot. Bonds7

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

2-chloro-5-[3-fluoro-4-(4-hexylphenyl)phenyl]pyridine (PubChem CID 19765435) has the molecular formula C23H23ClFN and a molecular weight of 367.90 g/mol. Its IUPAC name is 2-chloro-5-[3-fluoro-4-(4-hexylphenyl)phenyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[3-fluoro-4-(4-hexylphenyl)phenyl]pyridine
PubChem CID19765435
Molecular FormulaC23H23ClFN
Molecular Weight367.90 g/mol
Exact Mass367.15
IUPAC Name2-chloro-5-[3-fluoro-4-(4-hexylphenyl)phenyl]pyridine
SMILESCCCCCCc1ccc(-c2ccc(-c3ccc(Cl)nc3)cc2F)cc1
InChIInChI=1S/C23H23ClFN/c1-2-3-4-5-6-17-7-9-18(10-8-17)21-13-11-19(15-22(21)25)20-12-14-23(24)26-16-20/h7-16H,2-6H2,1H3
InChIKeyCDQSJSPAGLZRBA-UHFFFAOYSA-N
XLogP7.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.90
LogP ≤ 57.33
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-hexylphenyl)phenyl]pyridine?
The IUPAC name of 2-chloro-5-[3-fluoro-4-(4-hexylphenyl)phenyl]pyridine (CID 19765435) is 2-chloro-5-[3-fluoro-4-(4-hexylphenyl)phenyl]pyridine.
What is the SMILES notation for 2-chloro-5-[3-fluoro-4-(4-hexylphenyl)phenyl]pyridine?
The canonical SMILES for 2-chloro-5-[3-fluoro-4-(4-hexylphenyl)phenyl]pyridine is CCCCCCc1ccc(-c2ccc(-c3ccc(Cl)nc3)cc2F)cc1.
What is the InChIKey of 2-chloro-5-[3-fluoro-4-(4-hexylphenyl)phenyl]pyridine?
The InChIKey is CDQSJSPAGLZRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN/c1-2-3-4-5-6-17-7-9-18(10-8-17)21-13-11-19(15-22(21)25)20-12-14-23(24)26-16-20/h7-16H,2-6H2,1H3.
What are the key properties of 2-chloro-5-[3-fluoro-4-(4-hexylphenyl)phenyl]pyridine?
2-chloro-5-[3-fluoro-4-(4-hexylphenyl)phenyl]pyridine has a molecular weight of 367.90 g/mol, XLogP of 7.33, 7 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-hexylphenyl)phenyl]pyridine is sourced from PubChem (CID 19765435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).