2-(4-chlorophenoxy)-4-(1,1-difluoroethyl)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]pyridine

C19H17ClF3N3O2 — CID 134396594

IUPAC2-(4-chlorophenoxy)-4-(1,1-difluoroethyl)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]pyridine
SMILESCOC(Cn1cncc1F)c1cnc(Oc2ccc(Cl)cc2)cc1C(C)(F)F
InChIInChI=1S/C19H17ClF3N3O2/c1-19(22,23)15-7-18(28-13-5-3-12(20)4-6-13)25-8-14(15)16(27-2)10-26-11-24-9-17(26)21/h3-9,11,16H,10H2,1-2H3
InChIKeyOLCZDZCLVGBSGY-UHFFFAOYSA-N
MW411.81 g/mol
LogP5.36
Rot. Bonds7

About 2-(4-chlorophenoxy)-4-(1,1-difluoroethyl)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]pyridine

2-(4-chlorophenoxy)-4-(1,1-difluoroethyl)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]pyridine (PubChem CID 134396594) has the molecular formula C19H17ClF3N3O2 and a molecular weight of 411.81 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-4-(1,1-difluoroethyl)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]pyridine.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-4-(1,1-difluoroethyl)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]pyridine
PubChem CID134396594
Molecular FormulaC19H17ClF3N3O2
Molecular Weight411.81 g/mol
Exact Mass411.10
IUPAC Name2-(4-chlorophenoxy)-4-(1,1-difluoroethyl)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]pyridine
SMILESCOC(Cn1cncc1F)c1cnc(Oc2ccc(Cl)cc2)cc1C(C)(F)F
InChIInChI=1S/C19H17ClF3N3O2/c1-19(22,23)15-7-18(28-13-5-3-12(20)4-6-13)25-8-14(15)16(27-2)10-26-11-24-9-17(26)21/h3-9,11,16H,10H2,1-2H3
InChIKeyOLCZDZCLVGBSGY-UHFFFAOYSA-N
XLogP5.36
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.81
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenoxy)-4-(1,1-difluoroethyl)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]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

1-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)ethanol
CID 126601534
1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(5-fluoroimidazol-1-yl)ethanone
CID 142752571
5-chloro-2-(4-ethoxyphenoxy)pyridine
CID 66234109
5-tert-butyl-2-(4-chlorophenoxy)pyridine
CID 59464073
6-(4-chlorophenoxy)pyridine-3,4-diamine
CID 129032482
N-[[5-chloro-2-(4-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114928209
6-(4-chlorophenoxy)-N-ethyl-2-propylpyrimidin-4-amine
CID 80949548
1-[2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]pentyl]-1,2,4-triazole
CID 137408347
6-(4-chlorophenoxy)-N-methylpyrimidin-4-amine
CID 80864046
1-[2-chloro-4-(4-chlorophenoxy)phenyl]-1-methoxy-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 175119134
5-chloro-2-(4-propan-2-ylphenoxy)pyridine
CID 66234556
(2R)-2-[5-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 175699653

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-4-(1,1-difluoroethyl)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]pyridine?
The IUPAC name of 2-(4-chlorophenoxy)-4-(1,1-difluoroethyl)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]pyridine (CID 134396594) is 2-(4-chlorophenoxy)-4-(1,1-difluoroethyl)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]pyridine.
What is the SMILES notation for 2-(4-chlorophenoxy)-4-(1,1-difluoroethyl)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]pyridine?
The canonical SMILES for 2-(4-chlorophenoxy)-4-(1,1-difluoroethyl)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]pyridine is COC(Cn1cncc1F)c1cnc(Oc2ccc(Cl)cc2)cc1C(C)(F)F.
What is the InChIKey of 2-(4-chlorophenoxy)-4-(1,1-difluoroethyl)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]pyridine?
The InChIKey is OLCZDZCLVGBSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N3O2/c1-19(22,23)15-7-18(28-13-5-3-12(20)4-6-13)25-8-14(15)16(27-2)10-26-11-24-9-17(26)21/h3-9,11,16H,10H2,1-2H3.
What are the key properties of 2-(4-chlorophenoxy)-4-(1,1-difluoroethyl)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]pyridine?
2-(4-chlorophenoxy)-4-(1,1-difluoroethyl)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]pyridine has a molecular weight of 411.81 g/mol, XLogP of 5.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-4-(1,1-difluoroethyl)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]pyridine is sourced from PubChem (CID 134396594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).