2-bromo-5-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]pyridine

C23H21BrF2N2O2 — CID 11123600

IUPAC2-bromo-5-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]pyridine
SMILESFC(F)Oc1ccc(C(Cc2ccncc2)c2ccc(Br)nc2)cc1OC1CCC1
InChIInChI=1S/C23H21BrF2N2O2/c24-22-7-5-17(14-28-22)19(12-15-8-10-27-11-9-15)16-4-6-20(30-23(25)26)21(13-16)29-18-2-1-3-18/h4-11,13-14,18-19,23H,1-3,12H2
InChIKeyHMKFQUYEEXZBHL-UHFFFAOYSA-N
MW475.33 g/mol
LogP6.15
Rot. Bonds8

About 2-bromo-5-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]pyridine

2-bromo-5-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]pyridine (PubChem CID 11123600) has the molecular formula C23H21BrF2N2O2 and a molecular weight of 475.33 g/mol. Its IUPAC name is 2-bromo-5-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]pyridine.

Molecular Properties

Compound Name2-bromo-5-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]pyridine
PubChem CID11123600
Molecular FormulaC23H21BrF2N2O2
Molecular Weight475.33 g/mol
Exact Mass474.08
IUPAC Name2-bromo-5-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]pyridine
SMILESFC(F)Oc1ccc(C(Cc2ccncc2)c2ccc(Br)nc2)cc1OC1CCC1
InChIInChI=1S/C23H21BrF2N2O2/c24-22-7-5-17(14-28-22)19(12-15-8-10-27-11-9-15)16-4-6-20(30-23(25)26)21(13-16)29-18-2-1-3-18/h4-11,13-14,18-19,23H,1-3,12H2
InChIKeyHMKFQUYEEXZBHL-UHFFFAOYSA-N
XLogP6.15
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.33
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-bromo-5-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

2-[5-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 10281403
methyl 4-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]benzoate
CID 10874102
2-[5-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-3-ylethyl]-1,3-thiazol-2-yl]propan-2-ol
CID 10298260
4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-[4-(methoxymethyl)phenyl]ethyl]pyridine
CID 54365893
5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]-N-[(1R)-1-phenylethyl]pyridin-2-amine
CID 70223317
2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]ethanol
CID 70066578
2-[5-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-3-yl)ethyl]-1,3-thiazol-2-yl]propan-2-ol
CID 10184058
2-[5-[1-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-3-ylethyl]-1,3-thiazol-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 59103210
[3,4-bis(difluoromethoxy)phenyl]-(6-bromo-3-pyridinyl)methanol
CID 10971303
2-[4-[(1R)-1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethyl]phenyl]-2-oxoethanesulfonamide
CID 140672553
3-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyl-4-pyridin-4-ylbutanoic acid
CID 67654163
(3S,5R,6S)-5-amino-6-[[5-[(2S)-2-[3-cyclopropyloxy-4-(difluoromethoxy)phenyl]-2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]ethyl]-2-pyridinyl]oxy]-2-(hydroxymethyl)oxane-3,4-diol
CID 169015114

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]pyridine?
The IUPAC name of 2-bromo-5-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]pyridine (CID 11123600) is 2-bromo-5-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]pyridine.
What is the SMILES notation for 2-bromo-5-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]pyridine?
The canonical SMILES for 2-bromo-5-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]pyridine is FC(F)Oc1ccc(C(Cc2ccncc2)c2ccc(Br)nc2)cc1OC1CCC1.
What is the InChIKey of 2-bromo-5-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]pyridine?
The InChIKey is HMKFQUYEEXZBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrF2N2O2/c24-22-7-5-17(14-28-22)19(12-15-8-10-27-11-9-15)16-4-6-20(30-23(25)26)21(13-16)29-18-2-1-3-18/h4-11,13-14,18-19,23H,1-3,12H2.
What are the key properties of 2-bromo-5-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]pyridine?
2-bromo-5-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]pyridine has a molecular weight of 475.33 g/mol, XLogP of 6.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[1-[3-cyclobutyloxy-4-(difluoromethoxy)phenyl]-2-pyridin-4-ylethyl]pyridine is sourced from PubChem (CID 11123600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).