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

C18H22FN — CID 18172851

IUPAC2-fluoro-6-(4-heptylphenyl)pyridine
SMILESCCCCCCCc1ccc(-c2cccc(F)n2)cc1
InChIInChI=1S/C18H22FN/c1-2-3-4-5-6-8-15-11-13-16(14-12-15)17-9-7-10-18(19)20-17/h7,9-14H,2-6,8H2,1H3
InChIKeyBGTUFDLSAMFOIP-UHFFFAOYSA-N
MW271.38 g/mol
LogP5.40
Rot. Bonds7

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

2-fluoro-6-(4-heptylphenyl)pyridine (PubChem CID 18172851) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-fluoro-6-(4-heptylphenyl)pyridine.

Molecular Properties

Compound Name2-fluoro-6-(4-heptylphenyl)pyridine
PubChem CID18172851
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name2-fluoro-6-(4-heptylphenyl)pyridine
SMILESCCCCCCCc1ccc(-c2cccc(F)n2)cc1
InChIInChI=1S/C18H22FN/c1-2-3-4-5-6-8-15-11-13-16(14-12-15)17-9-7-10-18(19)20-17/h7,9-14H,2-6,8H2,1H3
InChIKeyBGTUFDLSAMFOIP-UHFFFAOYSA-N
XLogP5.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.38
LogP ≤ 55.40
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-(4-heptylphenyl)-6-(4-nonylphenyl)pyridine
CID 18172843
2-fluoro-3-heptyl-6-[4-(4-heptylphenyl)phenyl]pyridine
CID 91063743
3-decyl-2-fluoro-6-[4-(4-hexylphenyl)phenyl]pyridine
CID 91526476
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
2-(4-hexylphenyl)quinoline;iridium(3+)
CID 161040240
[2-fluoro-6-(4-pentylphenyl)-3-pyridinyl]boronic acid
CID 18172823
1-[6-(4-octylphenyl)-2-pyridinyl]piperazine
CID 57390561
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
1-pentadecyl-4-phenylbenzene
CID 57166115
1,3-bis[4-[2-(4-hexylphenyl)ethyl]phenyl]benzene
CID 58085021
1,3-bis[4-[2-[4-(4-hexylphenyl)phenyl]ethyl]phenyl]benzene
CID 58085049
2,5-bis(4-octylphenyl)pyridine
CID 139839621

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(4-heptylphenyl)pyridine?
The IUPAC name of 2-fluoro-6-(4-heptylphenyl)pyridine (CID 18172851) is 2-fluoro-6-(4-heptylphenyl)pyridine.
What is the SMILES notation for 2-fluoro-6-(4-heptylphenyl)pyridine?
The canonical SMILES for 2-fluoro-6-(4-heptylphenyl)pyridine is CCCCCCCc1ccc(-c2cccc(F)n2)cc1.
What is the InChIKey of 2-fluoro-6-(4-heptylphenyl)pyridine?
The InChIKey is BGTUFDLSAMFOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-2-3-4-5-6-8-15-11-13-16(14-12-15)17-9-7-10-18(19)20-17/h7,9-14H,2-6,8H2,1H3.
What are the key properties of 2-fluoro-6-(4-heptylphenyl)pyridine?
2-fluoro-6-(4-heptylphenyl)pyridine has a molecular weight of 271.38 g/mol, XLogP of 5.40, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(4-heptylphenyl)pyridine is sourced from PubChem (CID 18172851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).