4-(chloromethyl)-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine

C11H9ClF3N3 — CID 113378886

IUPAC4-(chloromethyl)-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine
SMILESCc1cc(CCl)cc(-n2cc(C(F)(F)F)cn2)n1
InChIInChI=1S/C11H9ClF3N3/c1-7-2-8(4-12)3-10(17-7)18-6-9(5-16-18)11(13,14)15/h2-3,5-6H,4H2,1H3
InChIKeyXBWWOZJBHMSZIV-UHFFFAOYSA-N
MW275.66 g/mol
LogP3.33
Rot. Bonds2

About 4-(chloromethyl)-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine

4-(chloromethyl)-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine (PubChem CID 113378886) has the molecular formula C11H9ClF3N3 and a molecular weight of 275.66 g/mol. Its IUPAC name is 4-(chloromethyl)-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine
PubChem CID113378886
Molecular FormulaC11H9ClF3N3
Molecular Weight275.66 g/mol
Exact Mass275.04
IUPAC Name4-(chloromethyl)-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine
SMILESCc1cc(CCl)cc(-n2cc(C(F)(F)F)cn2)n1
InChIInChI=1S/C11H9ClF3N3/c1-7-2-8(4-12)3-10(17-7)18-6-9(5-16-18)11(13,14)15/h2-3,5-6H,4H2,1H3
InChIKeyXBWWOZJBHMSZIV-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'}

Analyze 4-(chloromethyl)-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]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

N-ethyl-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 80868236
2-chloro-6-(4-iodopyrazol-1-yl)-4-(trifluoromethyl)pyridine
CID 102716271
N-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 114566111
6-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine-4-carbothioamide
CID 107548328
5-(bromomethyl)-2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 107086174
2-(chloromethyl)-5-[4-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazole
CID 80617559
4-(chloromethyl)-2-(4-methoxypyrazol-1-yl)-6-propylpyridine
CID 114274250
[6-(4-methylpyrazol-1-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721177
N-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 80868893
1-(4-chloro-3-fluoro-2-methylphenyl)-4-(trifluoromethyl)pyrazole
CID 118286964
N-ethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 80868324
2-[4-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanamine
CID 105410763

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine?
The IUPAC name of 4-(chloromethyl)-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine (CID 113378886) is 4-(chloromethyl)-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine.
What is the SMILES notation for 4-(chloromethyl)-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine?
The canonical SMILES for 4-(chloromethyl)-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine is Cc1cc(CCl)cc(-n2cc(C(F)(F)F)cn2)n1.
What is the InChIKey of 4-(chloromethyl)-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine?
The InChIKey is XBWWOZJBHMSZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3/c1-7-2-8(4-12)3-10(17-7)18-6-9(5-16-18)11(13,14)15/h2-3,5-6H,4H2,1H3.
What are the key properties of 4-(chloromethyl)-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine?
4-(chloromethyl)-2-methyl-6-[4-(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 4-(chloromethyl)-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine is sourced from PubChem (CID 113378886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).