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

C22H21ClFN — CID 19765712

IUPAC2-chloro-5-[3-fluoro-4-(4-pentylphenyl)phenyl]pyridine
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(Cl)nc3)cc2F)cc1
InChIInChI=1S/C22H21ClFN/c1-2-3-4-5-16-6-8-17(9-7-16)20-12-10-18(14-21(20)24)19-11-13-22(23)25-15-19/h6-15H,2-5H2,1H3
InChIKeyARSYTCKFNFFEDV-UHFFFAOYSA-N
MW353.87 g/mol
LogP6.94
Rot. Bonds6

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

2-chloro-5-[3-fluoro-4-(4-pentylphenyl)phenyl]pyridine (PubChem CID 19765712) has the molecular formula C22H21ClFN and a molecular weight of 353.87 g/mol. Its IUPAC name is 2-chloro-5-[3-fluoro-4-(4-pentylphenyl)phenyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[3-fluoro-4-(4-pentylphenyl)phenyl]pyridine
PubChem CID19765712
Molecular FormulaC22H21ClFN
Molecular Weight353.87 g/mol
Exact Mass353.13
IUPAC Name2-chloro-5-[3-fluoro-4-(4-pentylphenyl)phenyl]pyridine
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(Cl)nc3)cc2F)cc1
InChIInChI=1S/C22H21ClFN/c1-2-3-4-5-16-6-8-17(9-7-16)20-12-10-18(14-21(20)24)19-11-13-22(23)25-15-19/h6-15H,2-5H2,1H3
InChIKeyARSYTCKFNFFEDV-UHFFFAOYSA-N
XLogP6.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.87
LogP ≤ 56.94
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-pentylphenyl)phenyl]pyridine?
The IUPAC name of 2-chloro-5-[3-fluoro-4-(4-pentylphenyl)phenyl]pyridine (CID 19765712) is 2-chloro-5-[3-fluoro-4-(4-pentylphenyl)phenyl]pyridine.
What is the SMILES notation for 2-chloro-5-[3-fluoro-4-(4-pentylphenyl)phenyl]pyridine?
The canonical SMILES for 2-chloro-5-[3-fluoro-4-(4-pentylphenyl)phenyl]pyridine is CCCCCc1ccc(-c2ccc(-c3ccc(Cl)nc3)cc2F)cc1.
What is the InChIKey of 2-chloro-5-[3-fluoro-4-(4-pentylphenyl)phenyl]pyridine?
The InChIKey is ARSYTCKFNFFEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN/c1-2-3-4-5-16-6-8-17(9-7-16)20-12-10-18(14-21(20)24)19-11-13-22(23)25-15-19/h6-15H,2-5H2,1H3.
What are the key properties of 2-chloro-5-[3-fluoro-4-(4-pentylphenyl)phenyl]pyridine?
2-chloro-5-[3-fluoro-4-(4-pentylphenyl)phenyl]pyridine has a molecular weight of 353.87 g/mol, XLogP of 6.94, 6 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-pentylphenyl)phenyl]pyridine is sourced from PubChem (CID 19765712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).