2-chloro-3,5-dimethyl-6-(trifluoromethoxy)pyridine

C8H7ClF3NO — CID 130984923

IUPAC2-chloro-3,5-dimethyl-6-(trifluoromethoxy)pyridine
SMILESCc1cc(C)c(OC(F)(F)F)nc1Cl
InChIInChI=1S/C8H7ClF3NO/c1-4-3-5(2)7(13-6(4)9)14-8(10,11)12/h3H,1-2H3
InChIKeyKBFBQSISACVSAD-UHFFFAOYSA-N
MW225.60 g/mol
LogP3.25
Rot. Bonds1

About 2-chloro-3,5-dimethyl-6-(trifluoromethoxy)pyridine

2-chloro-3,5-dimethyl-6-(trifluoromethoxy)pyridine (PubChem CID 130984923) has the molecular formula C8H7ClF3NO and a molecular weight of 225.60 g/mol. Its IUPAC name is 2-chloro-3,5-dimethyl-6-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2-chloro-3,5-dimethyl-6-(trifluoromethoxy)pyridine
PubChem CID130984923
Molecular FormulaC8H7ClF3NO
Molecular Weight225.60 g/mol
Exact Mass225.02
IUPAC Name2-chloro-3,5-dimethyl-6-(trifluoromethoxy)pyridine
SMILESCc1cc(C)c(OC(F)(F)F)nc1Cl
InChIInChI=1S/C8H7ClF3NO/c1-4-3-5(2)7(13-6(4)9)14-8(10,11)12/h3H,1-2H3
InChIKeyKBFBQSISACVSAD-UHFFFAOYSA-N
XLogP3.25
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 53.25
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

[6-chloro-5-methyl-2-(trifluoromethoxy)-3-pyridinyl] thiohypoiodite;ethane
CID 177205247
5-methoxy-3-methyl-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134665042
3-iodo-5-methyl-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131369994
3-chloro-5-iodo-2-methyl-6-(trifluoromethoxy)pyridine
CID 130883042
5-methyl-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 133087619
3,6-dibromo-4-methyl-2-(trifluoromethoxy)pyridine
CID 130093635
5-methyl-2-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 118812911
5-methyl-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134669577
4-chloro-6-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)pyridine
CID 118822584
4-chloro-3-fluoro-5-methyl-2-(trifluoromethoxy)pyridine
CID 118800275
5-methoxy-3-methyl-2-(trifluoromethoxy)pyridine
CID 130093140
methyl 2-iodo-5-methyl-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134665755

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,5-dimethyl-6-(trifluoromethoxy)pyridine?
The IUPAC name of 2-chloro-3,5-dimethyl-6-(trifluoromethoxy)pyridine (CID 130984923) is 2-chloro-3,5-dimethyl-6-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2-chloro-3,5-dimethyl-6-(trifluoromethoxy)pyridine?
The canonical SMILES for 2-chloro-3,5-dimethyl-6-(trifluoromethoxy)pyridine is Cc1cc(C)c(OC(F)(F)F)nc1Cl.
What is the InChIKey of 2-chloro-3,5-dimethyl-6-(trifluoromethoxy)pyridine?
The InChIKey is KBFBQSISACVSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO/c1-4-3-5(2)7(13-6(4)9)14-8(10,11)12/h3H,1-2H3.
What are the key properties of 2-chloro-3,5-dimethyl-6-(trifluoromethoxy)pyridine?
2-chloro-3,5-dimethyl-6-(trifluoromethoxy)pyridine has a molecular weight of 225.60 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,5-dimethyl-6-(trifluoromethoxy)pyridine is sourced from PubChem (CID 130984923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).