2-(chloromethyl)-5-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyridine

C15H10ClF6N — CID 122434852

IUPAC2-(chloromethyl)-5-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyridine
SMILESCc1cc(C(F)(F)F)c(-c2ccc(CCl)nc2)c(C(F)(F)F)c1
InChIInChI=1S/C15H10ClF6N/c1-8-4-11(14(17,18)19)13(12(5-8)15(20,21)22)9-2-3-10(6-16)23-7-9/h2-5,7H,6H2,1H3
InChIKeyZWHZPGWBLFYVTO-UHFFFAOYSA-N
MW353.69 g/mol
LogP5.83
Rot. Bonds2

About 2-(chloromethyl)-5-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyridine

2-(chloromethyl)-5-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyridine (PubChem CID 122434852) has the molecular formula C15H10ClF6N and a molecular weight of 353.69 g/mol. Its IUPAC name is 2-(chloromethyl)-5-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-5-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyridine
PubChem CID122434852
Molecular FormulaC15H10ClF6N
Molecular Weight353.69 g/mol
Exact Mass353.04
IUPAC Name2-(chloromethyl)-5-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyridine
SMILESCc1cc(C(F)(F)F)c(-c2ccc(CCl)nc2)c(C(F)(F)F)c1
InChIInChI=1S/C15H10ClF6N/c1-8-4-11(14(17,18)19)13(12(5-8)15(20,21)22)9-2-3-10(6-16)23-7-9/h2-5,7H,6H2,1H3
InChIKeyZWHZPGWBLFYVTO-UHFFFAOYSA-N
XLogP5.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.69
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-(chloromethyl)-5-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyridine (CID 122434852) is 2-(chloromethyl)-5-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-(chloromethyl)-5-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-(chloromethyl)-5-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyridine is Cc1cc(C(F)(F)F)c(-c2ccc(CCl)nc2)c(C(F)(F)F)c1.
What is the InChIKey of 2-(chloromethyl)-5-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyridine?
The InChIKey is ZWHZPGWBLFYVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF6N/c1-8-4-11(14(17,18)19)13(12(5-8)15(20,21)22)9-2-3-10(6-16)23-7-9/h2-5,7H,6H2,1H3.
What are the key properties of 2-(chloromethyl)-5-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyridine?
2-(chloromethyl)-5-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyridine has a molecular weight of 353.69 g/mol, XLogP of 5.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-[4-methyl-2,6-bis(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 122434852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).