5-ethyl-3-fluoro-2-heptylpyridine

C14H22FN — CID 71032400

IUPAC5-ethyl-3-fluoro-2-heptylpyridine
SMILESCCCCCCCc1ncc(CC)cc1F
InChIInChI=1S/C14H22FN/c1-3-5-6-7-8-9-14-13(15)10-12(4-2)11-16-14/h10-11H,3-9H2,1-2H3
InChIKeyTZVHXUMPSZFMAD-UHFFFAOYSA-N
MW223.34 g/mol
LogP4.30
Rot. Bonds7

About 5-ethyl-3-fluoro-2-heptylpyridine

5-ethyl-3-fluoro-2-heptylpyridine (PubChem CID 71032400) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is 5-ethyl-3-fluoro-2-heptylpyridine.

Molecular Properties

Compound Name5-ethyl-3-fluoro-2-heptylpyridine
PubChem CID71032400
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC Name5-ethyl-3-fluoro-2-heptylpyridine
SMILESCCCCCCCc1ncc(CC)cc1F
InChIInChI=1S/C14H22FN/c1-3-5-6-7-8-9-14-13(15)10-12(4-2)11-16-14/h10-11H,3-9H2,1-2H3
InChIKeyTZVHXUMPSZFMAD-UHFFFAOYSA-N
XLogP4.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-pentyl-2,5-dipropylpyridine
CID 174744841
5-ethyl-3-fluoro-N-methylpyridin-2-amine
CID 178169489
2-(difluoromethyl)-1,3-difluoro-5-heptylbenzene
CID 20653964
1-ethyl-3,5-di(tetradecyl)benzene
CID 91801932
2-[4-(2-fluoro-4-heptylphenyl)phenyl]-5-hexylpyrimidine
CID 21270896
1,3-difluoro-2,5-dipentylbenzene
CID 138738043
(2,6-difluoro-4-pentylphenyl)-trimethylsilane
CID 15751979
2-[4-(2-fluoro-4-pentylphenyl)phenyl]-5-heptylpyridine
CID 19859898
2-[4-(4-butyl-2-fluorophenyl)phenyl]-5-heptylpyrimidine
CID 21270877
3-fluoro-2-(4-octoxyphenyl)-5-octylpyridine
CID 19387529
2-(3-fluoro-4-heptylphenyl)-5-octylpyrimidine
CID 21270948
2-decyl-4-ethylpyridine;tetradecane
CID 174509045

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-fluoro-2-heptylpyridine?
The IUPAC name of 5-ethyl-3-fluoro-2-heptylpyridine (CID 71032400) is 5-ethyl-3-fluoro-2-heptylpyridine.
What is the SMILES notation for 5-ethyl-3-fluoro-2-heptylpyridine?
The canonical SMILES for 5-ethyl-3-fluoro-2-heptylpyridine is CCCCCCCc1ncc(CC)cc1F.
What is the InChIKey of 5-ethyl-3-fluoro-2-heptylpyridine?
The InChIKey is TZVHXUMPSZFMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-3-5-6-7-8-9-14-13(15)10-12(4-2)11-16-14/h10-11H,3-9H2,1-2H3.
What are the key properties of 5-ethyl-3-fluoro-2-heptylpyridine?
5-ethyl-3-fluoro-2-heptylpyridine has a molecular weight of 223.34 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-fluoro-2-heptylpyridine is sourced from PubChem (CID 71032400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).