2-chloro-5-methyl-4-(2,2,2-trifluoroethoxy)pyridine

C8H7ClF3NO — CID 83269005

IUPAC2-chloro-5-methyl-4-(2,2,2-trifluoroethoxy)pyridine
SMILESCc1cnc(Cl)cc1OCC(F)(F)F
InChIInChI=1S/C8H7ClF3NO/c1-5-3-13-7(9)2-6(5)14-4-8(10,11)12/h2-3H,4H2,1H3
InChIKeyKAOMHOLHIWOCHQ-UHFFFAOYSA-N
MW225.60 g/mol
LogP2.98
Rot. Bonds2

About 2-chloro-5-methyl-4-(2,2,2-trifluoroethoxy)pyridine

2-chloro-5-methyl-4-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 83269005) has the molecular formula C8H7ClF3NO and a molecular weight of 225.60 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name2-chloro-5-methyl-4-(2,2,2-trifluoroethoxy)pyridine
PubChem CID83269005
Molecular FormulaC8H7ClF3NO
Molecular Weight225.60 g/mol
Exact Mass225.02
IUPAC Name2-chloro-5-methyl-4-(2,2,2-trifluoroethoxy)pyridine
SMILESCc1cnc(Cl)cc1OCC(F)(F)F
InChIInChI=1S/C8H7ClF3NO/c1-5-3-13-7(9)2-6(5)14-4-8(10,11)12/h2-3H,4H2,1H3
InChIKeyKAOMHOLHIWOCHQ-UHFFFAOYSA-N
XLogP2.98
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine
CID 112587564
4-[(E)-but-2-enoxy]-2-chloro-5-methylpyridine
CID 83270118
2-chloro-4-(2-cyclobutylethoxy)-5-methylpyridine
CID 106201416
2-chloro-4-[(2-fluorophenyl)methoxy]-5-methylpyridine
CID 83269019
N,4-dimethyl-5-(2,2,2-trifluoroethoxy)pyridin-2-amine;hydrochloride
CID 175018147
N-[2-[(2-chloro-5-methyl-4-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 83268152
N,4-dimethyl-5-(2,2,2-trifluoroethoxy)pyridin-2-amine
CID 151815999
2-chloro-4-(3,5-dichlorophenoxy)-5-methylpyridine
CID 83269241
2-chloro-4-(4-ethoxyphenoxy)-5-methylpyridine
CID 83268533
2-chloro-5-methyl-4-phenoxypyridine
CID 83269011
1-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)benzene
CID 81005193
2-chloro-4,5-dimethylpyridine;ethane
CID 144586230

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-4-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 2-chloro-5-methyl-4-(2,2,2-trifluoroethoxy)pyridine (CID 83269005) is 2-chloro-5-methyl-4-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 2-chloro-5-methyl-4-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 2-chloro-5-methyl-4-(2,2,2-trifluoroethoxy)pyridine is Cc1cnc(Cl)cc1OCC(F)(F)F.
What is the InChIKey of 2-chloro-5-methyl-4-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is KAOMHOLHIWOCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO/c1-5-3-13-7(9)2-6(5)14-4-8(10,11)12/h2-3H,4H2,1H3.
What are the key properties of 2-chloro-5-methyl-4-(2,2,2-trifluoroethoxy)pyridine?
2-chloro-5-methyl-4-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 225.60 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-4-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 83269005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).