5-[4-(4-butylphenyl)-3-fluorophenyl]-2-chloropyridine

C21H19ClFN — CID 19765643

IUPAC5-[4-(4-butylphenyl)-3-fluorophenyl]-2-chloropyridine
SMILESCCCCc1ccc(-c2ccc(-c3ccc(Cl)nc3)cc2F)cc1
InChIInChI=1S/C21H19ClFN/c1-2-3-4-15-5-7-16(8-6-15)19-11-9-17(13-20(19)23)18-10-12-21(22)24-14-18/h5-14H,2-4H2,1H3
InChIKeyKHUKCMNVWNSNPR-UHFFFAOYSA-N
MW339.84 g/mol
LogP6.55
Rot. Bonds5

About 5-[4-(4-butylphenyl)-3-fluorophenyl]-2-chloropyridine

5-[4-(4-butylphenyl)-3-fluorophenyl]-2-chloropyridine (PubChem CID 19765643) has the molecular formula C21H19ClFN and a molecular weight of 339.84 g/mol. Its IUPAC name is 5-[4-(4-butylphenyl)-3-fluorophenyl]-2-chloropyridine.

Molecular Properties

Compound Name5-[4-(4-butylphenyl)-3-fluorophenyl]-2-chloropyridine
PubChem CID19765643
Molecular FormulaC21H19ClFN
Molecular Weight339.84 g/mol
Exact Mass339.12
IUPAC Name5-[4-(4-butylphenyl)-3-fluorophenyl]-2-chloropyridine
SMILESCCCCc1ccc(-c2ccc(-c3ccc(Cl)nc3)cc2F)cc1
InChIInChI=1S/C21H19ClFN/c1-2-3-4-15-5-7-16(8-6-15)19-11-9-17(13-20(19)23)18-10-12-21(22)24-14-18/h5-14H,2-4H2,1H3
InChIKeyKHUKCMNVWNSNPR-UHFFFAOYSA-N
XLogP6.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.84
LogP ≤ 56.55
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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Related Compounds

CID 2725
CID 2725
CID 33036
CID 33036
CID 77251
CID 77251
CID 77252
CID 77252
CID 716121
CID 716121
CID 11401613
CID 11401613
CID 78054
CID 78054
CID 140539
CID 140539
CID 4594970
CID 4594970
CID 6540051
CID 6540051
CID 6540054
CID 6540054
CID 25033735
CID 25033735

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-butylphenyl)-3-fluorophenyl]-2-chloropyridine?
The IUPAC name of 5-[4-(4-butylphenyl)-3-fluorophenyl]-2-chloropyridine (CID 19765643) is 5-[4-(4-butylphenyl)-3-fluorophenyl]-2-chloropyridine.
What is the SMILES notation for 5-[4-(4-butylphenyl)-3-fluorophenyl]-2-chloropyridine?
The canonical SMILES for 5-[4-(4-butylphenyl)-3-fluorophenyl]-2-chloropyridine is CCCCc1ccc(-c2ccc(-c3ccc(Cl)nc3)cc2F)cc1.
What is the InChIKey of 5-[4-(4-butylphenyl)-3-fluorophenyl]-2-chloropyridine?
The InChIKey is KHUKCMNVWNSNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN/c1-2-3-4-15-5-7-16(8-6-15)19-11-9-17(13-20(19)23)18-10-12-21(22)24-14-18/h5-14H,2-4H2,1H3.
What are the key properties of 5-[4-(4-butylphenyl)-3-fluorophenyl]-2-chloropyridine?
5-[4-(4-butylphenyl)-3-fluorophenyl]-2-chloropyridine has a molecular weight of 339.84 g/mol, XLogP of 6.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-butylphenyl)-3-fluorophenyl]-2-chloropyridine is sourced from PubChem (CID 19765643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).