1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine

C20H21BrFNO2 — CID 1375655

IUPAC1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
SMILESCOc1cc(OC)c(CN2CC=C(c3ccc(F)cc3)CC2)cc1Br
InChIInChI=1S/C20H21BrFNO2/c1-24-19-12-20(25-2)18(21)11-16(19)13-23-9-7-15(8-10-23)14-3-5-17(22)6-4-14/h3-7,11-12H,8-10,13H2,1-2H3
InChIKeyLCSFDJKOJJOWAQ-UHFFFAOYSA-N
MW406.30 g/mol
LogP4.89
Rot. Bonds5

About 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine

1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine (PubChem CID 1375655) has the molecular formula C20H21BrFNO2 and a molecular weight of 406.30 g/mol. Its IUPAC name is 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
PubChem CID1375655
Molecular FormulaC20H21BrFNO2
Molecular Weight406.30 g/mol
Exact Mass405.07
IUPAC Name1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
SMILESCOc1cc(OC)c(CN2CC=C(c3ccc(F)cc3)CC2)cc1Br
InChIInChI=1S/C20H21BrFNO2/c1-24-19-12-20(25-2)18(21)11-16(19)13-23-9-7-15(8-10-23)14-3-5-17(22)6-4-14/h3-7,11-12H,8-10,13H2,1-2H3
InChIKeyLCSFDJKOJJOWAQ-UHFFFAOYSA-N
XLogP4.89
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.30
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,6-dihydro-2H-pyridine
CID 782013
4-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine
CID 2845212
1-[(4-fluorophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 1126262
2-ethoxy-4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol
CID 2845450
4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol
CID 6456261
6-[1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3-bis(4-methoxyphenyl)pyridine
CID 10367883
2-[4-[(5-bromo-2,4-dimethoxyphenyl)methyl]piperazin-1-yl]pyrimidine
CID 1376777
1-(4-fluorophenyl)sulfonyl-4-[(2-methoxy-5-methylphenyl)methyl]piperazine
CID 9036604
1-[(4-bromo-2,5-dimethoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 106672717
(4aS,8aR)-1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 6962645
N-[(4-fluorophenyl)methyl]-2-[2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-pyrimidin-2-ylphenoxy]acetamide
CID 42372211
1-[(4-fluorophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 2874958

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine (CID 1375655) is 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine is COc1cc(OC)c(CN2CC=C(c3ccc(F)cc3)CC2)cc1Br.
What is the InChIKey of 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine?
The InChIKey is LCSFDJKOJJOWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrFNO2/c1-24-19-12-20(25-2)18(21)11-16(19)13-23-9-7-15(8-10-23)14-3-5-17(22)6-4-14/h3-7,11-12H,8-10,13H2,1-2H3.
What are the key properties of 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine?
1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine has a molecular weight of 406.30 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 1375655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).