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

C11H9ClF3N3 — CID 81235131

IUPAC5-(chloromethyl)-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyridine
SMILESCc1cc(-n2ccc(C(F)(F)F)n2)c(CCl)cn1
InChIInChI=1S/C11H9ClF3N3/c1-7-4-9(8(5-12)6-16-7)18-3-2-10(17-18)11(13,14)15/h2-4,6H,5H2,1H3
InChIKeyXRTZTWLHRIHSFP-UHFFFAOYSA-N
MW275.66 g/mol
LogP3.33
Rot. Bonds2

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

5-(chloromethyl)-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyridine (PubChem CID 81235131) has the molecular formula C11H9ClF3N3 and a molecular weight of 275.66 g/mol. Its IUPAC name is 5-(chloromethyl)-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name5-(chloromethyl)-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyridine
PubChem CID81235131
Molecular FormulaC11H9ClF3N3
Molecular Weight275.66 g/mol
Exact Mass275.04
IUPAC Name5-(chloromethyl)-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyridine
SMILESCc1cc(-n2ccc(C(F)(F)F)n2)c(CCl)cn1
InChIInChI=1S/C11H9ClF3N3/c1-7-4-9(8(5-12)6-16-7)18-3-2-10(17-18)11(13,14)15/h2-4,6H,5H2,1H3
InChIKeyXRTZTWLHRIHSFP-UHFFFAOYSA-N
XLogP3.33
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.66
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyridine?
The IUPAC name of 5-(chloromethyl)-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyridine (CID 81235131) is 5-(chloromethyl)-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyridine.
What is the SMILES notation for 5-(chloromethyl)-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyridine?
The canonical SMILES for 5-(chloromethyl)-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyridine is Cc1cc(-n2ccc(C(F)(F)F)n2)c(CCl)cn1.
What is the InChIKey of 5-(chloromethyl)-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyridine?
The InChIKey is XRTZTWLHRIHSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3/c1-7-4-9(8(5-12)6-16-7)18-3-2-10(17-18)11(13,14)15/h2-4,6H,5H2,1H3.
What are the key properties of 5-(chloromethyl)-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyridine?
5-(chloromethyl)-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyridine has a molecular weight of 275.66 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyridine is sourced from PubChem (CID 81235131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).