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

C10H7ClF3N3 — CID 66436390

IUPAC2-[4-(chloromethyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine
SMILESFC(F)(F)c1c(CCl)cnn1-c1ccccn1
InChIInChI=1S/C10H7ClF3N3/c11-5-7-6-16-17(9(7)10(12,13)14)8-3-1-2-4-15-8/h1-4,6H,5H2
InChIKeyCQVIBLMISFSPIJ-UHFFFAOYSA-N
MW261.63 g/mol
LogP3.02
Rot. Bonds2

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

2-[4-(chloromethyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine (PubChem CID 66436390) has the molecular formula C10H7ClF3N3 and a molecular weight of 261.63 g/mol. Its IUPAC name is 2-[4-(chloromethyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name2-[4-(chloromethyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine
PubChem CID66436390
Molecular FormulaC10H7ClF3N3
Molecular Weight261.63 g/mol
Exact Mass261.03
IUPAC Name2-[4-(chloromethyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine
SMILESFC(F)(F)c1c(CCl)cnn1-c1ccccn1
InChIInChI=1S/C10H7ClF3N3/c11-5-7-6-16-17(9(7)10(12,13)14)8-3-1-2-4-15-8/h1-4,6H,5H2
InChIKeyCQVIBLMISFSPIJ-UHFFFAOYSA-N
XLogP3.02
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.63
LogP ≤ 53.02
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 2-[4-(chloromethyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine?
The IUPAC name of 2-[4-(chloromethyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine (CID 66436390) is 2-[4-(chloromethyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine.
What is the SMILES notation for 2-[4-(chloromethyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine?
The canonical SMILES for 2-[4-(chloromethyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine is FC(F)(F)c1c(CCl)cnn1-c1ccccn1.
What is the InChIKey of 2-[4-(chloromethyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine?
The InChIKey is CQVIBLMISFSPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3N3/c11-5-7-6-16-17(9(7)10(12,13)14)8-3-1-2-4-15-8/h1-4,6H,5H2.
What are the key properties of 2-[4-(chloromethyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine?
2-[4-(chloromethyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine has a molecular weight of 261.63 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(chloromethyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridine is sourced from PubChem (CID 66436390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).