5-(chloromethyl)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pyridine

C10H11ClF3NO — CID 81233559

IUPAC5-(chloromethyl)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pyridine
SMILESCc1cc(OC(C)C(F)(F)F)c(CCl)cn1
InChIInChI=1S/C10H11ClF3NO/c1-6-3-9(8(4-11)5-15-6)16-7(2)10(12,13)14/h3,5,7H,4H2,1-2H3
InChIKeyKZVCFMRDMDFECH-UHFFFAOYSA-N
MW253.65 g/mol
LogP3.46
Rot. Bonds3

About 5-(chloromethyl)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pyridine

5-(chloromethyl)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pyridine (PubChem CID 81233559) has the molecular formula C10H11ClF3NO and a molecular weight of 253.65 g/mol. Its IUPAC name is 5-(chloromethyl)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pyridine.

Molecular Properties

Compound Name5-(chloromethyl)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pyridine
PubChem CID81233559
Molecular FormulaC10H11ClF3NO
Molecular Weight253.65 g/mol
Exact Mass253.05
IUPAC Name5-(chloromethyl)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pyridine
SMILESCc1cc(OC(C)C(F)(F)F)c(CCl)cn1
InChIInChI=1S/C10H11ClF3NO/c1-6-3-9(8(4-11)5-15-6)16-7(2)10(12,13)14/h3,5,7H,4H2,1-2H3
InChIKeyKZVCFMRDMDFECH-UHFFFAOYSA-N
XLogP3.46
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-(chloromethyl)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)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 5-(chloromethyl)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pyridine?
The IUPAC name of 5-(chloromethyl)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pyridine (CID 81233559) is 5-(chloromethyl)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pyridine.
What is the SMILES notation for 5-(chloromethyl)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pyridine?
The canonical SMILES for 5-(chloromethyl)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pyridine is Cc1cc(OC(C)C(F)(F)F)c(CCl)cn1.
What is the InChIKey of 5-(chloromethyl)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pyridine?
The InChIKey is KZVCFMRDMDFECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO/c1-6-3-9(8(4-11)5-15-6)16-7(2)10(12,13)14/h3,5,7H,4H2,1-2H3.
What are the key properties of 5-(chloromethyl)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pyridine?
5-(chloromethyl)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pyridine has a molecular weight of 253.65 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pyridine is sourced from PubChem (CID 81233559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).