3-[(4-fluorophenyl)methyl]-6-methyl-1,2-dihydropyridine

C13H14FN — CID 121480988

IUPAC3-[(4-fluorophenyl)methyl]-6-methyl-1,2-dihydropyridine
SMILESCC1=CC=C(Cc2ccc(F)cc2)CN1
InChIInChI=1S/C13H14FN/c1-10-2-3-12(9-15-10)8-11-4-6-13(14)7-5-11/h2-7,15H,8-9H2,1H3
InChIKeyJQYRCKWEWPZJEJ-UHFFFAOYSA-N
MW203.26 g/mol
LogP2.80
Rot. Bonds2

About 3-[(4-fluorophenyl)methyl]-6-methyl-1,2-dihydropyridine

3-[(4-fluorophenyl)methyl]-6-methyl-1,2-dihydropyridine (PubChem CID 121480988) has the molecular formula C13H14FN and a molecular weight of 203.26 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-6-methyl-1,2-dihydropyridine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-6-methyl-1,2-dihydropyridine
PubChem CID121480988
Molecular FormulaC13H14FN
Molecular Weight203.26 g/mol
Exact Mass203.11
IUPAC Name3-[(4-fluorophenyl)methyl]-6-methyl-1,2-dihydropyridine
SMILESCC1=CC=C(Cc2ccc(F)cc2)CN1
InChIInChI=1S/C13H14FN/c1-10-2-3-12(9-15-10)8-11-4-6-13(14)7-5-11/h2-7,15H,8-9H2,1H3
InChIKeyJQYRCKWEWPZJEJ-UHFFFAOYSA-N
XLogP2.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-6-methyl-1,2-dihydropyridine?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-6-methyl-1,2-dihydropyridine (CID 121480988) is 3-[(4-fluorophenyl)methyl]-6-methyl-1,2-dihydropyridine.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-6-methyl-1,2-dihydropyridine?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-6-methyl-1,2-dihydropyridine is CC1=CC=C(Cc2ccc(F)cc2)CN1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-6-methyl-1,2-dihydropyridine?
The InChIKey is JQYRCKWEWPZJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN/c1-10-2-3-12(9-15-10)8-11-4-6-13(14)7-5-11/h2-7,15H,8-9H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-6-methyl-1,2-dihydropyridine?
3-[(4-fluorophenyl)methyl]-6-methyl-1,2-dihydropyridine has a molecular weight of 203.26 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-6-methyl-1,2-dihydropyridine is sourced from PubChem (CID 121480988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).