3-chloro-2-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine

C8H4ClF6NO — CID 133087764

IUPAC3-chloro-2-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
SMILESCc1nc(C(F)(F)F)cc(OC(F)(F)F)c1Cl
InChIInChI=1S/C8H4ClF6NO/c1-3-6(9)4(17-8(13,14)15)2-5(16-3)7(10,11)12/h2H,1H3
InChIKeyBOPAZQXUYLNSPT-UHFFFAOYSA-N
MW279.57 g/mol
LogP3.96
Rot. Bonds1

About 3-chloro-2-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine

3-chloro-2-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine (PubChem CID 133087764) has the molecular formula C8H4ClF6NO and a molecular weight of 279.57 g/mol. Its IUPAC name is 3-chloro-2-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
PubChem CID133087764
Molecular FormulaC8H4ClF6NO
Molecular Weight279.57 g/mol
Exact Mass278.99
IUPAC Name3-chloro-2-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
SMILESCc1nc(C(F)(F)F)cc(OC(F)(F)F)c1Cl
InChIInChI=1S/C8H4ClF6NO/c1-3-6(9)4(17-8(13,14)15)2-5(16-3)7(10,11)12/h2H,1H3
InChIKeyBOPAZQXUYLNSPT-UHFFFAOYSA-N
XLogP3.96
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.57
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-chloro-2-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-3-chloro-6-methyl-4-(trifluoromethoxy)pyridine
CID 119001342
2,3,6-trichloro-4-(trifluoromethoxy)pyridine
CID 119007597
3-(difluoromethyl)-2-methoxy-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134665221
2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134670039
2-(difluoromethyl)-3-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134681322
5-chloro-4-methoxy-6-methyl-2-(trifluoromethyl)quinoline
CID 2773798
6-methyl-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-2-amine
CID 171656686
[4-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol
CID 134668178
2-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 134666372
4-chloro-2-methyl-5-(trifluoromethoxy)pyridine
CID 70832767
4-chloro-3-(trifluoromethoxy)-5-(trifluoromethyl)aniline
CID 171035858
2,6-difluoro-3-methyl-5-(trifluoromethoxy)pyridine
CID 130094266

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine (CID 133087764) is 3-chloro-2-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine is Cc1nc(C(F)(F)F)cc(OC(F)(F)F)c1Cl.
What is the InChIKey of 3-chloro-2-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine?
The InChIKey is BOPAZQXUYLNSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF6NO/c1-3-6(9)4(17-8(13,14)15)2-5(16-3)7(10,11)12/h2H,1H3.
What are the key properties of 3-chloro-2-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine?
3-chloro-2-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine has a molecular weight of 279.57 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 133087764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).