ethane;2-[1-(1-fluorocyclopropyl)ethenyl]-5-methylpyridine

C13H18FN — CID 144956619

IUPACethane;2-[1-(1-fluorocyclopropyl)ethenyl]-5-methylpyridine
SMILESC=C(c1ccc(C)cn1)C1(F)CC1.CC
InChIInChI=1S/C11H12FN.C2H6/c1-8-3-4-10(13-7-8)9(2)11(12)5-6-11;1-2/h3-4,7H,2,5-6H2,1H3;1-2H3
InChIKeyZZMGSCSMDFOJBH-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.93
Rot. Bonds2

About ethane;2-[1-(1-fluorocyclopropyl)ethenyl]-5-methylpyridine

ethane;2-[1-(1-fluorocyclopropyl)ethenyl]-5-methylpyridine (PubChem CID 144956619) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is ethane;2-[1-(1-fluorocyclopropyl)ethenyl]-5-methylpyridine.

Molecular Properties

Compound Nameethane;2-[1-(1-fluorocyclopropyl)ethenyl]-5-methylpyridine
PubChem CID144956619
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Nameethane;2-[1-(1-fluorocyclopropyl)ethenyl]-5-methylpyridine
SMILESC=C(c1ccc(C)cn1)C1(F)CC1.CC
InChIInChI=1S/C11H12FN.C2H6/c1-8-3-4-10(13-7-8)9(2)11(12)5-6-11;1-2/h3-4,7H,2,5-6H2,1H3;1-2H3
InChIKeyZZMGSCSMDFOJBH-UHFFFAOYSA-N
XLogP3.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[1-(1-fluorocyclopropyl)ethenyl]-5-methylpyridine?
The IUPAC name of ethane;2-[1-(1-fluorocyclopropyl)ethenyl]-5-methylpyridine (CID 144956619) is ethane;2-[1-(1-fluorocyclopropyl)ethenyl]-5-methylpyridine.
What is the SMILES notation for ethane;2-[1-(1-fluorocyclopropyl)ethenyl]-5-methylpyridine?
The canonical SMILES for ethane;2-[1-(1-fluorocyclopropyl)ethenyl]-5-methylpyridine is C=C(c1ccc(C)cn1)C1(F)CC1.CC.
What is the InChIKey of ethane;2-[1-(1-fluorocyclopropyl)ethenyl]-5-methylpyridine?
The InChIKey is ZZMGSCSMDFOJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN.C2H6/c1-8-3-4-10(13-7-8)9(2)11(12)5-6-11;1-2/h3-4,7H,2,5-6H2,1H3;1-2H3.
What are the key properties of ethane;2-[1-(1-fluorocyclopropyl)ethenyl]-5-methylpyridine?
ethane;2-[1-(1-fluorocyclopropyl)ethenyl]-5-methylpyridine has a molecular weight of 207.29 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[1-(1-fluorocyclopropyl)ethenyl]-5-methylpyridine is sourced from PubChem (CID 144956619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).