2-fluoro-3-(4-heptylphenyl)-6-(4-nonylphenyl)pyridine

C33H44FN — CID 18172843

IUPAC2-fluoro-3-(4-heptylphenyl)-6-(4-nonylphenyl)pyridine
SMILESCCCCCCCCCc1ccc(-c2ccc(-c3ccc(CCCCCCC)cc3)c(F)n2)cc1
InChIInChI=1S/C33H44FN/c1-3-5-7-9-10-12-14-16-28-19-23-30(24-20-28)32-26-25-31(33(34)35-32)29-21-17-27(18-22-29)15-13-11-8-6-4-2/h17-26H,3-16H2,1-2H3
InChIKeyHZRLBNWHJORYJR-UHFFFAOYSA-N
MW473.72 g/mol
LogP10.36
Rot. Bonds16

About 2-fluoro-3-(4-heptylphenyl)-6-(4-nonylphenyl)pyridine

2-fluoro-3-(4-heptylphenyl)-6-(4-nonylphenyl)pyridine (PubChem CID 18172843) has the molecular formula C33H44FN and a molecular weight of 473.72 g/mol. Its IUPAC name is 2-fluoro-3-(4-heptylphenyl)-6-(4-nonylphenyl)pyridine.

Molecular Properties

Compound Name2-fluoro-3-(4-heptylphenyl)-6-(4-nonylphenyl)pyridine
PubChem CID18172843
Molecular FormulaC33H44FN
Molecular Weight473.72 g/mol
Exact Mass473.35
IUPAC Name2-fluoro-3-(4-heptylphenyl)-6-(4-nonylphenyl)pyridine
SMILESCCCCCCCCCc1ccc(-c2ccc(-c3ccc(CCCCCCC)cc3)c(F)n2)cc1
InChIInChI=1S/C33H44FN/c1-3-5-7-9-10-12-14-16-28-19-23-30(24-20-28)32-26-25-31(33(34)35-32)29-21-17-27(18-22-29)15-13-11-8-6-4-2/h17-26H,3-16H2,1-2H3
InChIKeyHZRLBNWHJORYJR-UHFFFAOYSA-N
XLogP10.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.72
LogP ≤ 510.36
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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Related Compounds

2-fluoro-3-heptyl-6-[4-(4-heptylphenyl)phenyl]pyridine
CID 91063743
2-fluoro-6-heptyl-3-[4-(4-octylphenyl)phenyl]pyridine
CID 91388044
3-decyl-2-fluoro-6-[4-(4-hexylphenyl)phenyl]pyridine
CID 91526476
6-decyl-2-fluoro-3-[4-(4-octylphenyl)phenyl]pyridine
CID 90821137
[2-fluoro-6-(4-pentylphenyl)-3-pyridinyl]boronic acid
CID 18172823
2-fluoro-6-(4-heptylphenyl)pyridine
CID 18172851
4-fluoro-5-(4-nonylphenyl)-2-(4-pentylphenyl)pyrimidine
CID 70492698
[6-(4-butylphenyl)-2-fluoro-3-pyridinyl]boronic acid
CID 18172819
2,3-difluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene
CID 14495749
2-[4-(2-fluoro-4-pentylphenyl)phenyl]-5-heptylpyridine
CID 19859898
2-fluoro-1-(4-heptylphenyl)-4-[2-(4-pentylphenyl)ethyl]benzene
CID 19906944
2,3-difluoro-1-(2-fluoro-4-nonylphenyl)-4-(4-nonylphenyl)benzene
CID 10768709

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(4-heptylphenyl)-6-(4-nonylphenyl)pyridine?
The IUPAC name of 2-fluoro-3-(4-heptylphenyl)-6-(4-nonylphenyl)pyridine (CID 18172843) is 2-fluoro-3-(4-heptylphenyl)-6-(4-nonylphenyl)pyridine.
What is the SMILES notation for 2-fluoro-3-(4-heptylphenyl)-6-(4-nonylphenyl)pyridine?
The canonical SMILES for 2-fluoro-3-(4-heptylphenyl)-6-(4-nonylphenyl)pyridine is CCCCCCCCCc1ccc(-c2ccc(-c3ccc(CCCCCCC)cc3)c(F)n2)cc1.
What is the InChIKey of 2-fluoro-3-(4-heptylphenyl)-6-(4-nonylphenyl)pyridine?
The InChIKey is HZRLBNWHJORYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44FN/c1-3-5-7-9-10-12-14-16-28-19-23-30(24-20-28)32-26-25-31(33(34)35-32)29-21-17-27(18-22-29)15-13-11-8-6-4-2/h17-26H,3-16H2,1-2H3.
What are the key properties of 2-fluoro-3-(4-heptylphenyl)-6-(4-nonylphenyl)pyridine?
2-fluoro-3-(4-heptylphenyl)-6-(4-nonylphenyl)pyridine has a molecular weight of 473.72 g/mol, XLogP of 10.36, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(4-heptylphenyl)-6-(4-nonylphenyl)pyridine is sourced from PubChem (CID 18172843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).