2-chloro-5-[[4-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-fluorophenoxy]methyl]pyridine

C17H11Cl2F4N3O — CID 57312688

IUPAC2-chloro-5-[[4-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-fluorophenoxy]methyl]pyridine
SMILESCn1nc(-c2ccc(OCc3ccc(Cl)nc3)cc2F)c(Cl)c1C(F)(F)F
InChIInChI=1S/C17H11Cl2F4N3O/c1-26-16(17(21,22)23)14(19)15(25-26)11-4-3-10(6-12(11)20)27-8-9-2-5-13(18)24-7-9/h2-7H,8H2,1H3
InChIKeyIDCZMKIXMGRCQC-UHFFFAOYSA-N
MW420.19 g/mol
LogP5.53
Rot. Bonds4

About 2-chloro-5-[[4-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-fluorophenoxy]methyl]pyridine

2-chloro-5-[[4-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-fluorophenoxy]methyl]pyridine (PubChem CID 57312688) has the molecular formula C17H11Cl2F4N3O and a molecular weight of 420.19 g/mol. Its IUPAC name is 2-chloro-5-[[4-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-fluorophenoxy]methyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[[4-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-fluorophenoxy]methyl]pyridine
PubChem CID57312688
Molecular FormulaC17H11Cl2F4N3O
Molecular Weight420.19 g/mol
Exact Mass419.02
IUPAC Name2-chloro-5-[[4-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-fluorophenoxy]methyl]pyridine
SMILESCn1nc(-c2ccc(OCc3ccc(Cl)nc3)cc2F)c(Cl)c1C(F)(F)F
InChIInChI=1S/C17H11Cl2F4N3O/c1-26-16(17(21,22)23)14(19)15(25-26)11-4-3-10(6-12(11)20)27-8-9-2-5-13(18)24-7-9/h2-7H,8H2,1H3
InChIKeyIDCZMKIXMGRCQC-UHFFFAOYSA-N
XLogP5.53
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.19
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-5-[[4-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-fluorophenoxy]methyl]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 2-chloro-5-[[4-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-fluorophenoxy]methyl]pyridine?
The IUPAC name of 2-chloro-5-[[4-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-fluorophenoxy]methyl]pyridine (CID 57312688) is 2-chloro-5-[[4-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-fluorophenoxy]methyl]pyridine.
What is the SMILES notation for 2-chloro-5-[[4-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-fluorophenoxy]methyl]pyridine?
The canonical SMILES for 2-chloro-5-[[4-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-fluorophenoxy]methyl]pyridine is Cn1nc(-c2ccc(OCc3ccc(Cl)nc3)cc2F)c(Cl)c1C(F)(F)F.
What is the InChIKey of 2-chloro-5-[[4-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-fluorophenoxy]methyl]pyridine?
The InChIKey is IDCZMKIXMGRCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2F4N3O/c1-26-16(17(21,22)23)14(19)15(25-26)11-4-3-10(6-12(11)20)27-8-9-2-5-13(18)24-7-9/h2-7H,8H2,1H3.
What are the key properties of 2-chloro-5-[[4-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-fluorophenoxy]methyl]pyridine?
2-chloro-5-[[4-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-fluorophenoxy]methyl]pyridine has a molecular weight of 420.19 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[4-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-fluorophenoxy]methyl]pyridine is sourced from PubChem (CID 57312688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).