1-[(3-bromo-4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine

C19H19BrFNO — CID 2845226

IUPAC1-[(3-bromo-4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
SMILESCOc1ccc(CN2CC=C(c3ccc(F)cc3)CC2)cc1Br
InChIInChI=1S/C19H19BrFNO/c1-23-19-7-2-14(12-18(19)20)13-22-10-8-16(9-11-22)15-3-5-17(21)6-4-15/h2-8,12H,9-11,13H2,1H3
InChIKeyBJANFMIYLXRNKQ-UHFFFAOYSA-N
MW376.27 g/mol
LogP4.89
Rot. Bonds4

About 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine

1-[(3-bromo-4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine (PubChem CID 2845226) has the molecular formula C19H19BrFNO and a molecular weight of 376.27 g/mol. Its IUPAC name is 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[(3-bromo-4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
PubChem CID2845226
Molecular FormulaC19H19BrFNO
Molecular Weight376.27 g/mol
Exact Mass375.06
IUPAC Name1-[(3-bromo-4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
SMILESCOc1ccc(CN2CC=C(c3ccc(F)cc3)CC2)cc1Br
InChIInChI=1S/C19H19BrFNO/c1-23-19-7-2-14(12-18(19)20)13-22-10-8-16(9-11-22)15-3-5-17(21)6-4-15/h2-8,12H,9-11,13H2,1H3
InChIKeyBJANFMIYLXRNKQ-UHFFFAOYSA-N
XLogP4.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.27
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine (CID 2845226) is 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine is COc1ccc(CN2CC=C(c3ccc(F)cc3)CC2)cc1Br.
What is the InChIKey of 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine?
The InChIKey is BJANFMIYLXRNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrFNO/c1-23-19-7-2-14(12-18(19)20)13-22-10-8-16(9-11-22)15-3-5-17(21)6-4-15/h2-8,12H,9-11,13H2,1H3.
What are the key properties of 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine?
1-[(3-bromo-4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine has a molecular weight of 376.27 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 2845226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).