2-(chloromethyl)-4-(trifluoromethyl)pyridine;hydrochloride

C7H6Cl2F3N — CID 121232314

IUPAC2-(chloromethyl)-4-(trifluoromethyl)pyridine;hydrochloride
SMILESCl.FC(F)(F)c1ccnc(CCl)c1
InChIInChI=1S/C7H5ClF3N.ClH/c8-4-6-3-5(1-2-12-6)7(9,10)11;/h1-3H,4H2;1H
InChIKeyYTTJDMDLGNJUOC-UHFFFAOYSA-N
MW232.03 g/mol
LogP3.26
Rot. Bonds1

About 2-(chloromethyl)-4-(trifluoromethyl)pyridine;hydrochloride

2-(chloromethyl)-4-(trifluoromethyl)pyridine;hydrochloride (PubChem CID 121232314) has the molecular formula C7H6Cl2F3N and a molecular weight of 232.03 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(trifluoromethyl)pyridine;hydrochloride.

Molecular Properties

Compound Name2-(chloromethyl)-4-(trifluoromethyl)pyridine;hydrochloride
PubChem CID121232314
Molecular FormulaC7H6Cl2F3N
Molecular Weight232.03 g/mol
Exact Mass230.98
IUPAC Name2-(chloromethyl)-4-(trifluoromethyl)pyridine;hydrochloride
SMILESCl.FC(F)(F)c1ccnc(CCl)c1
InChIInChI=1S/C7H5ClF3N.ClH/c8-4-6-3-5(1-2-12-6)7(9,10)11;/h1-3H,4H2;1H
InChIKeyYTTJDMDLGNJUOC-UHFFFAOYSA-N
XLogP3.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.03
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine
CID 14425986
2-[4-(chloromethyl)phenyl]-4-(trifluoromethyl)pyridine;hydrochloride
CID 176896090
4-(chloromethyl)-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 55114299
2-(2H-tetrazol-5-ylmethyl)-4-(trifluoromethyl)pyridine
CID 124518140
2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole
CID 139463100
N-ethyl-1-[4-(trifluoromethyl)-2-pyridinyl]propan-2-amine
CID 66328316
N-[[4-(chloromethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 107233201
N,3-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]butan-2-amine
CID 66330877
[4-(trifluoromethyl)-2-pyridinyl]phosphane
CID 143994599
2-methyl-4-(trifluoromethyl)pyridine;propane
CID 143330484
2-(4-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyridine
CID 164673721
trans-(1R,2R)-2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclopentan-1-amine
CID 125470676

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(trifluoromethyl)pyridine;hydrochloride?
The IUPAC name of 2-(chloromethyl)-4-(trifluoromethyl)pyridine;hydrochloride (CID 121232314) is 2-(chloromethyl)-4-(trifluoromethyl)pyridine;hydrochloride.
What is the SMILES notation for 2-(chloromethyl)-4-(trifluoromethyl)pyridine;hydrochloride?
The canonical SMILES for 2-(chloromethyl)-4-(trifluoromethyl)pyridine;hydrochloride is Cl.FC(F)(F)c1ccnc(CCl)c1.
What is the InChIKey of 2-(chloromethyl)-4-(trifluoromethyl)pyridine;hydrochloride?
The InChIKey is YTTJDMDLGNJUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3N.ClH/c8-4-6-3-5(1-2-12-6)7(9,10)11;/h1-3H,4H2;1H.
What are the key properties of 2-(chloromethyl)-4-(trifluoromethyl)pyridine;hydrochloride?
2-(chloromethyl)-4-(trifluoromethyl)pyridine;hydrochloride has a molecular weight of 232.03 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(trifluoromethyl)pyridine;hydrochloride is sourced from PubChem (CID 121232314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).