3-chloro-2-methoxy-4-(trifluoromethoxy)pyridine

C7H5ClF3NO2 — CID 130089712

IUPAC3-chloro-2-methoxy-4-(trifluoromethoxy)pyridine
SMILESCOc1nccc(OC(F)(F)F)c1Cl
InChIInChI=1S/C7H5ClF3NO2/c1-13-6-5(8)4(2-3-12-6)14-7(9,10)11/h2-3H,1H3
InChIKeyDOCOVQVDMFJSJL-UHFFFAOYSA-N
MW227.57 g/mol
LogP2.64
Rot. Bonds2

About 3-chloro-2-methoxy-4-(trifluoromethoxy)pyridine

3-chloro-2-methoxy-4-(trifluoromethoxy)pyridine (PubChem CID 130089712) has the molecular formula C7H5ClF3NO2 and a molecular weight of 227.57 g/mol. Its IUPAC name is 3-chloro-2-methoxy-4-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name3-chloro-2-methoxy-4-(trifluoromethoxy)pyridine
PubChem CID130089712
Molecular FormulaC7H5ClF3NO2
Molecular Weight227.57 g/mol
Exact Mass227.00
IUPAC Name3-chloro-2-methoxy-4-(trifluoromethoxy)pyridine
SMILESCOc1nccc(OC(F)(F)F)c1Cl
InChIInChI=1S/C7H5ClF3NO2/c1-13-6-5(8)4(2-3-12-6)14-7(9,10)11/h2-3H,1H3
InChIKeyDOCOVQVDMFJSJL-UHFFFAOYSA-N
XLogP2.64
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.57
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-2-methoxy-4-(trifluoromethoxy)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-methoxy-3-methyl-4-(trifluoromethoxy)pyridine
CID 68904963
3,4-dichloro-2-methoxypyridine
CID 57485134
2-[2-methoxy-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 133094960
3-chloro-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 130089873
4-iodo-2-methoxy-3-(trifluoromethoxy)pyridine
CID 118833057
3-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyridine
CID 174313071
2-methoxy-3-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134620613
3-chloro-2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine
CID 134625989
2-chloro-4-(trifluoromethoxy)pyridine-3-carbonyl chloride
CID 171029091
[4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118814252
6-bromo-2-methoxy-3-(trifluoromethoxy)pyridine
CID 130089390
2-methoxy-3,4-bis(trifluoromethyl)pyridine
CID 133095141

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methoxy-4-(trifluoromethoxy)pyridine?
The IUPAC name of 3-chloro-2-methoxy-4-(trifluoromethoxy)pyridine (CID 130089712) is 3-chloro-2-methoxy-4-(trifluoromethoxy)pyridine.
What is the SMILES notation for 3-chloro-2-methoxy-4-(trifluoromethoxy)pyridine?
The canonical SMILES for 3-chloro-2-methoxy-4-(trifluoromethoxy)pyridine is COc1nccc(OC(F)(F)F)c1Cl.
What is the InChIKey of 3-chloro-2-methoxy-4-(trifluoromethoxy)pyridine?
The InChIKey is DOCOVQVDMFJSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO2/c1-13-6-5(8)4(2-3-12-6)14-7(9,10)11/h2-3H,1H3.
What are the key properties of 3-chloro-2-methoxy-4-(trifluoromethoxy)pyridine?
3-chloro-2-methoxy-4-(trifluoromethoxy)pyridine has a molecular weight of 227.57 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methoxy-4-(trifluoromethoxy)pyridine is sourced from PubChem (CID 130089712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).