4-(chloromethyl)-2-fluoro-3-(trifluoromethyl)pyridine

C7H4ClF4N — CID 118704205

IUPAC4-(chloromethyl)-2-fluoro-3-(trifluoromethyl)pyridine
SMILESFc1nccc(CCl)c1C(F)(F)F
InChIInChI=1S/C7H4ClF4N/c8-3-4-1-2-13-6(9)5(4)7(10,11)12/h1-2H,3H2
InChIKeyVJWANJFMMUSSPL-UHFFFAOYSA-N
MW213.56 g/mol
LogP2.98
Rot. Bonds1

About 4-(chloromethyl)-2-fluoro-3-(trifluoromethyl)pyridine

4-(chloromethyl)-2-fluoro-3-(trifluoromethyl)pyridine (PubChem CID 118704205) has the molecular formula C7H4ClF4N and a molecular weight of 213.56 g/mol. Its IUPAC name is 4-(chloromethyl)-2-fluoro-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-2-fluoro-3-(trifluoromethyl)pyridine
PubChem CID118704205
Molecular FormulaC7H4ClF4N
Molecular Weight213.56 g/mol
Exact Mass213.00
IUPAC Name4-(chloromethyl)-2-fluoro-3-(trifluoromethyl)pyridine
SMILESFc1nccc(CCl)c1C(F)(F)F
InChIInChI=1S/C7H4ClF4N/c8-3-4-1-2-13-6(9)5(4)7(10,11)12/h1-2H,3H2
InChIKeyVJWANJFMMUSSPL-UHFFFAOYSA-N
XLogP2.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.56
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-fluoro-3-(trifluoromethyl)pyridine
CID 56604237
5-(chloromethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134658888
3-(chloromethyl)-2-fluoropyridine
CID 22641304
1-(chloromethyl)-3-fluoro-2,4-bis(trifluoromethyl)benzene
CID 134617827
4-(chloromethyl)-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridine
CID 118801728
2-fluoro-4-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 133088846
1-(chloromethyl)-4-ethyl-2,3-bis(trifluoromethyl)benzene
CID 135742827
4-(chloromethyl)-3-fluoro-2-(trifluoromethyl)aniline
CID 130970173
4-ethyl-2,3-bis(trifluoromethyl)pyridine
CID 133094685
2-fluoro-4-(2,3,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 134637677
ethyl 2-fluoro-3-(trifluoromethyl)pyridine-4-carboxylate
CID 118704262
4-(chloromethyl)-2,3-bis(2-fluorophenyl)pyridine
CID 131869976

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-fluoro-3-(trifluoromethyl)pyridine?
The IUPAC name of 4-(chloromethyl)-2-fluoro-3-(trifluoromethyl)pyridine (CID 118704205) is 4-(chloromethyl)-2-fluoro-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-(chloromethyl)-2-fluoro-3-(trifluoromethyl)pyridine?
The canonical SMILES for 4-(chloromethyl)-2-fluoro-3-(trifluoromethyl)pyridine is Fc1nccc(CCl)c1C(F)(F)F.
What is the InChIKey of 4-(chloromethyl)-2-fluoro-3-(trifluoromethyl)pyridine?
The InChIKey is VJWANJFMMUSSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF4N/c8-3-4-1-2-13-6(9)5(4)7(10,11)12/h1-2H,3H2.
What are the key properties of 4-(chloromethyl)-2-fluoro-3-(trifluoromethyl)pyridine?
4-(chloromethyl)-2-fluoro-3-(trifluoromethyl)pyridine has a molecular weight of 213.56 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-fluoro-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 118704205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).