2-[4-(chloromethyl)phenyl]-4-(trifluoromethyl)pyridine;hydrochloride

C13H10Cl2F3N — CID 176896090

IUPAC2-[4-(chloromethyl)phenyl]-4-(trifluoromethyl)pyridine;hydrochloride
SMILESCl.FC(F)(F)c1ccnc(-c2ccc(CCl)cc2)c1
InChIInChI=1S/C13H9ClF3N.ClH/c14-8-9-1-3-10(4-2-9)12-7-11(5-6-18-12)13(15,16)17;/h1-7H,8H2;1H
InChIKeyNVTGDFUWVAOKBV-UHFFFAOYSA-N
MW308.13 g/mol
LogP4.93
Rot. Bonds2

About 2-[4-(chloromethyl)phenyl]-4-(trifluoromethyl)pyridine;hydrochloride

2-[4-(chloromethyl)phenyl]-4-(trifluoromethyl)pyridine;hydrochloride (PubChem CID 176896090) has the molecular formula C13H10Cl2F3N and a molecular weight of 308.13 g/mol. Its IUPAC name is 2-[4-(chloromethyl)phenyl]-4-(trifluoromethyl)pyridine;hydrochloride.

Molecular Properties

Compound Name2-[4-(chloromethyl)phenyl]-4-(trifluoromethyl)pyridine;hydrochloride
PubChem CID176896090
Molecular FormulaC13H10Cl2F3N
Molecular Weight308.13 g/mol
Exact Mass307.01
IUPAC Name2-[4-(chloromethyl)phenyl]-4-(trifluoromethyl)pyridine;hydrochloride
SMILESCl.FC(F)(F)c1ccnc(-c2ccc(CCl)cc2)c1
InChIInChI=1S/C13H9ClF3N.ClH/c14-8-9-1-3-10(4-2-9)12-7-11(5-6-18-12)13(15,16)17;/h1-7H,8H2;1H
InChIKeyNVTGDFUWVAOKBV-UHFFFAOYSA-N
XLogP4.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.13
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[4-(chloromethyl)phenyl]-4-(trifluoromethyl)pyridine;hydrochloride 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-[[4-(chloromethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 107233201
2-(chloromethyl)-4-(trifluoromethyl)pyridine;hydrochloride
CID 121232314
2-(4-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyridine
CID 164673721
4-ethyl-2-[4-(trifluoromethyl)phenyl]pyridine
CID 145238167
[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine
CID 68758847
[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]methylidenehydrazine
CID 168531320
2,4-bis[4-(trifluoromethyl)phenyl]pyridine
CID 134617794
4-[3-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]propyl]morpholine
CID 170870105
2-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]prop-2-enamide
CID 175876313
N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673779
N-[2-chloro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673432
[2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine;dihydrochloride
CID 171365585

Frequently Asked Questions

What is the IUPAC name of 2-[4-(chloromethyl)phenyl]-4-(trifluoromethyl)pyridine;hydrochloride?
The IUPAC name of 2-[4-(chloromethyl)phenyl]-4-(trifluoromethyl)pyridine;hydrochloride (CID 176896090) is 2-[4-(chloromethyl)phenyl]-4-(trifluoromethyl)pyridine;hydrochloride.
What is the SMILES notation for 2-[4-(chloromethyl)phenyl]-4-(trifluoromethyl)pyridine;hydrochloride?
The canonical SMILES for 2-[4-(chloromethyl)phenyl]-4-(trifluoromethyl)pyridine;hydrochloride is Cl.FC(F)(F)c1ccnc(-c2ccc(CCl)cc2)c1.
What is the InChIKey of 2-[4-(chloromethyl)phenyl]-4-(trifluoromethyl)pyridine;hydrochloride?
The InChIKey is NVTGDFUWVAOKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N.ClH/c14-8-9-1-3-10(4-2-9)12-7-11(5-6-18-12)13(15,16)17;/h1-7H,8H2;1H.
What are the key properties of 2-[4-(chloromethyl)phenyl]-4-(trifluoromethyl)pyridine;hydrochloride?
2-[4-(chloromethyl)phenyl]-4-(trifluoromethyl)pyridine;hydrochloride has a molecular weight of 308.13 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(chloromethyl)phenyl]-4-(trifluoromethyl)pyridine;hydrochloride is sourced from PubChem (CID 176896090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).