6-[2-fluoro-5-[(3E)-penta-1,3-dien-3-yl]phenyl]-3-methyl-1,2-dihydropyridine

C17H18FN — CID 144876771

IUPAC6-[2-fluoro-5-[(3E)-penta-1,3-dien-3-yl]phenyl]-3-methyl-1,2-dihydropyridine
SMILESC=C/C(=C\C)c1ccc(F)c(C2=CC=C(C)CN2)c1
InChIInChI=1S/C17H18FN/c1-4-13(5-2)14-7-8-16(18)15(10-14)17-9-6-12(3)11-19-17/h4-10,19H,1,11H2,2-3H3/b13-5+
InChIKeyNZEXHNLDRCMKBV-WLRTZDKTSA-N
MW255.34 g/mol
LogP4.31
Rot. Bonds3

About 6-[2-fluoro-5-[(3E)-penta-1,3-dien-3-yl]phenyl]-3-methyl-1,2-dihydropyridine

6-[2-fluoro-5-[(3E)-penta-1,3-dien-3-yl]phenyl]-3-methyl-1,2-dihydropyridine (PubChem CID 144876771) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is 6-[2-fluoro-5-[(3E)-penta-1,3-dien-3-yl]phenyl]-3-methyl-1,2-dihydropyridine.

Molecular Properties

Compound Name6-[2-fluoro-5-[(3E)-penta-1,3-dien-3-yl]phenyl]-3-methyl-1,2-dihydropyridine
PubChem CID144876771
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC Name6-[2-fluoro-5-[(3E)-penta-1,3-dien-3-yl]phenyl]-3-methyl-1,2-dihydropyridine
SMILESC=C/C(=C\C)c1ccc(F)c(C2=CC=C(C)CN2)c1
InChIInChI=1S/C17H18FN/c1-4-13(5-2)14-7-8-16(18)15(10-14)17-9-6-12(3)11-19-17/h4-10,19H,1,11H2,2-3H3/b13-5+
InChIKeyNZEXHNLDRCMKBV-WLRTZDKTSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-fluoro-5-[(3E)-penta-1,3-dien-3-yl]phenyl]-3-methyl-1,2-dihydropyridine?
The IUPAC name of 6-[2-fluoro-5-[(3E)-penta-1,3-dien-3-yl]phenyl]-3-methyl-1,2-dihydropyridine (CID 144876771) is 6-[2-fluoro-5-[(3E)-penta-1,3-dien-3-yl]phenyl]-3-methyl-1,2-dihydropyridine.
What is the SMILES notation for 6-[2-fluoro-5-[(3E)-penta-1,3-dien-3-yl]phenyl]-3-methyl-1,2-dihydropyridine?
The canonical SMILES for 6-[2-fluoro-5-[(3E)-penta-1,3-dien-3-yl]phenyl]-3-methyl-1,2-dihydropyridine is C=C/C(=C\C)c1ccc(F)c(C2=CC=C(C)CN2)c1.
What is the InChIKey of 6-[2-fluoro-5-[(3E)-penta-1,3-dien-3-yl]phenyl]-3-methyl-1,2-dihydropyridine?
The InChIKey is NZEXHNLDRCMKBV-WLRTZDKTSA-N. The full InChI is InChI=1S/C17H18FN/c1-4-13(5-2)14-7-8-16(18)15(10-14)17-9-6-12(3)11-19-17/h4-10,19H,1,11H2,2-3H3/b13-5+.
What are the key properties of 6-[2-fluoro-5-[(3E)-penta-1,3-dien-3-yl]phenyl]-3-methyl-1,2-dihydropyridine?
6-[2-fluoro-5-[(3E)-penta-1,3-dien-3-yl]phenyl]-3-methyl-1,2-dihydropyridine has a molecular weight of 255.34 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-fluoro-5-[(3E)-penta-1,3-dien-3-yl]phenyl]-3-methyl-1,2-dihydropyridine is sourced from PubChem (CID 144876771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).