3-chloro-2-[5-(chloromethyl)-1,2,4-triazol-1-yl]-5-(trifluoromethyl)pyridine

C9H5Cl2F3N4 — CID 107447281

IUPAC3-chloro-2-[5-(chloromethyl)-1,2,4-triazol-1-yl]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(-n2ncnc2CCl)c(Cl)c1
InChIInChI=1S/C9H5Cl2F3N4/c10-2-7-16-4-17-18(7)8-6(11)1-5(3-15-8)9(12,13)14/h1,3-4H,2H2
InChIKeyOMHWVHYAPBDLRA-UHFFFAOYSA-N
MW297.07 g/mol
LogP3.07
Rot. Bonds2

About 3-chloro-2-[5-(chloromethyl)-1,2,4-triazol-1-yl]-5-(trifluoromethyl)pyridine

3-chloro-2-[5-(chloromethyl)-1,2,4-triazol-1-yl]-5-(trifluoromethyl)pyridine (PubChem CID 107447281) has the molecular formula C9H5Cl2F3N4 and a molecular weight of 297.07 g/mol. Its IUPAC name is 3-chloro-2-[5-(chloromethyl)-1,2,4-triazol-1-yl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-[5-(chloromethyl)-1,2,4-triazol-1-yl]-5-(trifluoromethyl)pyridine
PubChem CID107447281
Molecular FormulaC9H5Cl2F3N4
Molecular Weight297.07 g/mol
Exact Mass295.98
IUPAC Name3-chloro-2-[5-(chloromethyl)-1,2,4-triazol-1-yl]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(-n2ncnc2CCl)c(Cl)c1
InChIInChI=1S/C9H5Cl2F3N4/c10-2-7-16-4-17-18(7)8-6(11)1-5(3-15-8)9(12,13)14/h1,3-4H,2H2
InChIKeyOMHWVHYAPBDLRA-UHFFFAOYSA-N
XLogP3.07
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.07
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-chloro-2-[5-(chloromethyl)-1,2,4-triazol-1-yl]-5-(trifluoromethyl)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

3-chloro-2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 54945268
5-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 107447268
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine
CID 14821018
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazol-4-yl]methanol
CID 66439207
2-[4-(bromomethyl)-5-methylpyrazol-1-yl]-3-chloro-5-(trifluoromethyl)pyridine
CID 66438811
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-ethylpyrazole-4-carboxylic acid
CID 43168599
3-chloro-2-pyrazol-1-yl-5-(trifluoromethyl)pyridine
CID 1478737
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carbonitrile
CID 3851582
3-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 61237757
2-[4-(bromomethyl)piperidin-1-yl]-3-chloro-5-(trifluoromethyl)pyridine
CID 80669474
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-formylpyrazole-4-carbonitrile
CID 19020335
3-chloro-2-[5-fluoro-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-1-yl]-5-(trifluoromethyl)pyridine
CID 134159163

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[5-(chloromethyl)-1,2,4-triazol-1-yl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-[5-(chloromethyl)-1,2,4-triazol-1-yl]-5-(trifluoromethyl)pyridine (CID 107447281) is 3-chloro-2-[5-(chloromethyl)-1,2,4-triazol-1-yl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-[5-(chloromethyl)-1,2,4-triazol-1-yl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-[5-(chloromethyl)-1,2,4-triazol-1-yl]-5-(trifluoromethyl)pyridine is FC(F)(F)c1cnc(-n2ncnc2CCl)c(Cl)c1.
What is the InChIKey of 3-chloro-2-[5-(chloromethyl)-1,2,4-triazol-1-yl]-5-(trifluoromethyl)pyridine?
The InChIKey is OMHWVHYAPBDLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2F3N4/c10-2-7-16-4-17-18(7)8-6(11)1-5(3-15-8)9(12,13)14/h1,3-4H,2H2.
What are the key properties of 3-chloro-2-[5-(chloromethyl)-1,2,4-triazol-1-yl]-5-(trifluoromethyl)pyridine?
3-chloro-2-[5-(chloromethyl)-1,2,4-triazol-1-yl]-5-(trifluoromethyl)pyridine has a molecular weight of 297.07 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[5-(chloromethyl)-1,2,4-triazol-1-yl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 107447281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).