3-bromo-2-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]pyridine

C18H19BrFNO — CID 140802365

IUPAC3-bromo-2-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]pyridine
SMILESFc1cccc(C2CCC(OCc3ncccc3Br)CC2)c1
InChIInChI=1S/C18H19BrFNO/c19-17-5-2-10-21-18(17)12-22-16-8-6-13(7-9-16)14-3-1-4-15(20)11-14/h1-5,10-11,13,16H,6-9,12H2
InChIKeyMBEWSSOOPDQTET-UHFFFAOYSA-N
MW364.26 g/mol
LogP5.23
Rot. Bonds4

About 3-bromo-2-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]pyridine

3-bromo-2-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]pyridine (PubChem CID 140802365) has the molecular formula C18H19BrFNO and a molecular weight of 364.26 g/mol. Its IUPAC name is 3-bromo-2-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]pyridine.

Molecular Properties

Compound Name3-bromo-2-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]pyridine
PubChem CID140802365
Molecular FormulaC18H19BrFNO
Molecular Weight364.26 g/mol
Exact Mass363.06
IUPAC Name3-bromo-2-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]pyridine
SMILESFc1cccc(C2CCC(OCc3ncccc3Br)CC2)c1
InChIInChI=1S/C18H19BrFNO/c19-17-5-2-10-21-18(17)12-22-16-8-6-13(7-9-16)14-3-1-4-15(20)11-14/h1-5,10-11,13,16H,6-9,12H2
InChIKeyMBEWSSOOPDQTET-UHFFFAOYSA-N
XLogP5.23
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.26
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-bromo-2-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]pyridine?
The IUPAC name of 3-bromo-2-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]pyridine (CID 140802365) is 3-bromo-2-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]pyridine.
What is the SMILES notation for 3-bromo-2-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]pyridine?
The canonical SMILES for 3-bromo-2-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]pyridine is Fc1cccc(C2CCC(OCc3ncccc3Br)CC2)c1.
What is the InChIKey of 3-bromo-2-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]pyridine?
The InChIKey is MBEWSSOOPDQTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFNO/c19-17-5-2-10-21-18(17)12-22-16-8-6-13(7-9-16)14-3-1-4-15(20)11-14/h1-5,10-11,13,16H,6-9,12H2.
What are the key properties of 3-bromo-2-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]pyridine?
3-bromo-2-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]pyridine has a molecular weight of 364.26 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]pyridine is sourced from PubChem (CID 140802365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).