3-[(7-fluoro-7-methylcycloocta-1,4-dien-1-yl)methyl]pyridine

C15H18FN — CID 123668721

IUPAC3-[(7-fluoro-7-methylcycloocta-1,4-dien-1-yl)methyl]pyridine
SMILESCC1(F)CC=CCC=C(Cc2cccnc2)C1
InChIInChI=1S/C15H18FN/c1-15(16)8-4-2-3-6-13(11-15)10-14-7-5-9-17-12-14/h2,4-7,9,12H,3,8,10-11H2,1H3
InChIKeyZFYYUKZWVSFRPA-UHFFFAOYSA-N
MW231.31 g/mol
LogP4.02
Rot. Bonds2

About 3-[(7-fluoro-7-methylcycloocta-1,4-dien-1-yl)methyl]pyridine

3-[(7-fluoro-7-methylcycloocta-1,4-dien-1-yl)methyl]pyridine (PubChem CID 123668721) has the molecular formula C15H18FN and a molecular weight of 231.31 g/mol. Its IUPAC name is 3-[(7-fluoro-7-methylcycloocta-1,4-dien-1-yl)methyl]pyridine.

Molecular Properties

Compound Name3-[(7-fluoro-7-methylcycloocta-1,4-dien-1-yl)methyl]pyridine
PubChem CID123668721
Molecular FormulaC15H18FN
Molecular Weight231.31 g/mol
Exact Mass231.14
IUPAC Name3-[(7-fluoro-7-methylcycloocta-1,4-dien-1-yl)methyl]pyridine
SMILESCC1(F)CC=CCC=C(Cc2cccnc2)C1
InChIInChI=1S/C15H18FN/c1-15(16)8-4-2-3-6-13(11-15)10-14-7-5-9-17-12-14/h2,4-7,9,12H,3,8,10-11H2,1H3
InChIKeyZFYYUKZWVSFRPA-UHFFFAOYSA-N
XLogP4.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(pyridin-3-ylmethyl)pyridine
CID 14762640
N-[(1-methylcyclopentyl)methyl]-1-pyridin-3-ylmethanamine
CID 63822892
3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine
CID 117007748
3-[[4-(4-ethylphenyl)phenyl]methyl]pyridine
CID 143881786
3-ethylpyridine
CID 10823
[1-(pyridin-3-ylmethyl)cyclopropyl]methanamine;dihydrochloride
CID 86277054
N-methyl-14-pyridin-3-yltetradecan-1-amine
CID 11001217
3-[(3-fluoroazetidin-3-yl)methyl]pyridine
CID 104737448
4,4-difluoro-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 126787190
2,2-dimethyl-1-(pyridin-3-ylmethyl)cyclopentan-1-amine
CID 104735918
N-[(1-ethylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine
CID 103735457
1-(aminomethyl)-N-ethyl-N-(2-pyridin-3-ylethyl)cycloheptan-1-amine
CID 63264720

Frequently Asked Questions

What is the IUPAC name of 3-[(7-fluoro-7-methylcycloocta-1,4-dien-1-yl)methyl]pyridine?
The IUPAC name of 3-[(7-fluoro-7-methylcycloocta-1,4-dien-1-yl)methyl]pyridine (CID 123668721) is 3-[(7-fluoro-7-methylcycloocta-1,4-dien-1-yl)methyl]pyridine.
What is the SMILES notation for 3-[(7-fluoro-7-methylcycloocta-1,4-dien-1-yl)methyl]pyridine?
The canonical SMILES for 3-[(7-fluoro-7-methylcycloocta-1,4-dien-1-yl)methyl]pyridine is CC1(F)CC=CCC=C(Cc2cccnc2)C1.
What is the InChIKey of 3-[(7-fluoro-7-methylcycloocta-1,4-dien-1-yl)methyl]pyridine?
The InChIKey is ZFYYUKZWVSFRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN/c1-15(16)8-4-2-3-6-13(11-15)10-14-7-5-9-17-12-14/h2,4-7,9,12H,3,8,10-11H2,1H3.
What are the key properties of 3-[(7-fluoro-7-methylcycloocta-1,4-dien-1-yl)methyl]pyridine?
3-[(7-fluoro-7-methylcycloocta-1,4-dien-1-yl)methyl]pyridine has a molecular weight of 231.31 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-fluoro-7-methylcycloocta-1,4-dien-1-yl)methyl]pyridine is sourced from PubChem (CID 123668721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).