5-bromo-1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-2-methylidenepyridine;ethane

C17H19BrFN — CID 144634785

IUPAC5-bromo-1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-2-methylidenepyridine;ethane
SMILESC=C1C=CC(Br)=CN1/C(=C\C)c1ccc(F)cc1.CC
InChIInChI=1S/C15H13BrFN.C2H6/c1-3-15(12-5-8-14(17)9-6-12)18-10-13(16)7-4-11(18)2;1-2/h3-10H,2H2,1H3;1-2H3/b15-3-;
InChIKeyXYTBPDGSMVSTLK-VCROQOHMSA-N
MW336.25 g/mol
LogP5.83
Rot. Bonds2

About 5-bromo-1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-2-methylidenepyridine;ethane

5-bromo-1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-2-methylidenepyridine;ethane (PubChem CID 144634785) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is 5-bromo-1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-2-methylidenepyridine;ethane.

Molecular Properties

Compound Name5-bromo-1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-2-methylidenepyridine;ethane
PubChem CID144634785
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC Name5-bromo-1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-2-methylidenepyridine;ethane
SMILESC=C1C=CC(Br)=CN1/C(=C\C)c1ccc(F)cc1.CC
InChIInChI=1S/C15H13BrFN.C2H6/c1-3-15(12-5-8-14(17)9-6-12)18-10-13(16)7-4-11(18)2;1-2/h3-10H,2H2,1H3;1-2H3/b15-3-;
InChIKeyXYTBPDGSMVSTLK-VCROQOHMSA-N
XLogP5.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.25
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-2-methylidenepyridine;ethane?
The IUPAC name of 5-bromo-1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-2-methylidenepyridine;ethane (CID 144634785) is 5-bromo-1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-2-methylidenepyridine;ethane.
What is the SMILES notation for 5-bromo-1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-2-methylidenepyridine;ethane?
The canonical SMILES for 5-bromo-1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-2-methylidenepyridine;ethane is C=C1C=CC(Br)=CN1/C(=C\C)c1ccc(F)cc1.CC.
What is the InChIKey of 5-bromo-1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-2-methylidenepyridine;ethane?
The InChIKey is XYTBPDGSMVSTLK-VCROQOHMSA-N. The full InChI is InChI=1S/C15H13BrFN.C2H6/c1-3-15(12-5-8-14(17)9-6-12)18-10-13(16)7-4-11(18)2;1-2/h3-10H,2H2,1H3;1-2H3/b15-3-;.
What are the key properties of 5-bromo-1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-2-methylidenepyridine;ethane?
5-bromo-1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-2-methylidenepyridine;ethane has a molecular weight of 336.25 g/mol, XLogP of 5.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-2-methylidenepyridine;ethane is sourced from PubChem (CID 144634785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).