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

C20H17ClFN — CID 19765604

IUPAC2-chloro-5-[3-fluoro-4-(4-propylphenyl)phenyl]pyridine
SMILESCCCc1ccc(-c2ccc(-c3ccc(Cl)nc3)cc2F)cc1
InChIInChI=1S/C20H17ClFN/c1-2-3-14-4-6-15(7-5-14)18-10-8-16(12-19(18)22)17-9-11-20(21)23-13-17/h4-13H,2-3H2,1H3
InChIKeySAIPRZFFTHGNOY-UHFFFAOYSA-N
MW325.81 g/mol
LogP6.16
Rot. Bonds4

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

2-chloro-5-[3-fluoro-4-(4-propylphenyl)phenyl]pyridine (PubChem CID 19765604) has the molecular formula C20H17ClFN and a molecular weight of 325.81 g/mol. Its IUPAC name is 2-chloro-5-[3-fluoro-4-(4-propylphenyl)phenyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[3-fluoro-4-(4-propylphenyl)phenyl]pyridine
PubChem CID19765604
Molecular FormulaC20H17ClFN
Molecular Weight325.81 g/mol
Exact Mass325.10
IUPAC Name2-chloro-5-[3-fluoro-4-(4-propylphenyl)phenyl]pyridine
SMILESCCCc1ccc(-c2ccc(-c3ccc(Cl)nc3)cc2F)cc1
InChIInChI=1S/C20H17ClFN/c1-2-3-14-4-6-15(7-5-14)18-10-8-16(12-19(18)22)17-9-11-20(21)23-13-17/h4-13H,2-3H2,1H3
InChIKeySAIPRZFFTHGNOY-UHFFFAOYSA-N
XLogP6.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.81
LogP ≤ 56.16
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-[3-fluoro-4-(4-propylphenyl)phenyl]pyridine?
The IUPAC name of 2-chloro-5-[3-fluoro-4-(4-propylphenyl)phenyl]pyridine (CID 19765604) is 2-chloro-5-[3-fluoro-4-(4-propylphenyl)phenyl]pyridine.
What is the SMILES notation for 2-chloro-5-[3-fluoro-4-(4-propylphenyl)phenyl]pyridine?
The canonical SMILES for 2-chloro-5-[3-fluoro-4-(4-propylphenyl)phenyl]pyridine is CCCc1ccc(-c2ccc(-c3ccc(Cl)nc3)cc2F)cc1.
What is the InChIKey of 2-chloro-5-[3-fluoro-4-(4-propylphenyl)phenyl]pyridine?
The InChIKey is SAIPRZFFTHGNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN/c1-2-3-14-4-6-15(7-5-14)18-10-8-16(12-19(18)22)17-9-11-20(21)23-13-17/h4-13H,2-3H2,1H3.
What are the key properties of 2-chloro-5-[3-fluoro-4-(4-propylphenyl)phenyl]pyridine?
2-chloro-5-[3-fluoro-4-(4-propylphenyl)phenyl]pyridine has a molecular weight of 325.81 g/mol, XLogP of 6.16, 4 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-propylphenyl)phenyl]pyridine is sourced from PubChem (CID 19765604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).