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

C7H5ClF3NO — CID 130089695

IUPAC2-chloro-6-methyl-4-(trifluoromethoxy)pyridine
SMILESCc1cc(OC(F)(F)F)cc(Cl)n1
InChIInChI=1S/C7H5ClF3NO/c1-4-2-5(3-6(8)12-4)13-7(9,10)11/h2-3H,1H3
InChIKeyNGWJQSMPRCQNSK-UHFFFAOYSA-N
MW211.57 g/mol
LogP2.94
Rot. Bonds1

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

2-chloro-6-methyl-4-(trifluoromethoxy)pyridine (PubChem CID 130089695) has the molecular formula C7H5ClF3NO and a molecular weight of 211.57 g/mol. Its IUPAC name is 2-chloro-6-methyl-4-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2-chloro-6-methyl-4-(trifluoromethoxy)pyridine
PubChem CID130089695
Molecular FormulaC7H5ClF3NO
Molecular Weight211.57 g/mol
Exact Mass211.00
IUPAC Name2-chloro-6-methyl-4-(trifluoromethoxy)pyridine
SMILESCc1cc(OC(F)(F)F)cc(Cl)n1
InChIInChI=1S/C7H5ClF3NO/c1-4-2-5(3-6(8)12-4)13-7(9,10)11/h2-3H,1H3
InChIKeyNGWJQSMPRCQNSK-UHFFFAOYSA-N
XLogP2.94
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.57
LogP ≤ 52.94
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

4-chloro-6-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 43557805
2,3,6-trichloro-4-(trifluoromethoxy)pyridine
CID 119007597
2-bromo-3-chloro-6-methyl-4-(trifluoromethoxy)pyridine
CID 119001342
2,4-dimethyl-6-(trifluoromethoxy)pyridine
CID 130088944
N-(2-chloro-6-methyl-4-pyridinyl)-2,2,2-trifluoroacetamide
CID 170314603
2-chloro-3-(difluoromethyl)-6-methyl-4-(trifluoromethoxy)pyridine
CID 119016175
1-[3-chloro-5-(trifluoromethoxy)phenyl]-3-(2,6-dichloro-4-pyridinyl)urea
CID 175721929
2-chloro-3,5-dimethyl-6-(trifluoromethoxy)pyridine
CID 130984923
4-chloro-6-[4-(trifluoromethoxy)phenyl]pyrimidine;ethane
CID 143849483
[3,6-dimethyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 131527479
2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 58626080
2-(2,6-dichloro-4-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole
CID 2781881

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-4-(trifluoromethoxy)pyridine?
The IUPAC name of 2-chloro-6-methyl-4-(trifluoromethoxy)pyridine (CID 130089695) is 2-chloro-6-methyl-4-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2-chloro-6-methyl-4-(trifluoromethoxy)pyridine?
The canonical SMILES for 2-chloro-6-methyl-4-(trifluoromethoxy)pyridine is Cc1cc(OC(F)(F)F)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-4-(trifluoromethoxy)pyridine?
The InChIKey is NGWJQSMPRCQNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO/c1-4-2-5(3-6(8)12-4)13-7(9,10)11/h2-3H,1H3.
What are the key properties of 2-chloro-6-methyl-4-(trifluoromethoxy)pyridine?
2-chloro-6-methyl-4-(trifluoromethoxy)pyridine has a molecular weight of 211.57 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-4-(trifluoromethoxy)pyridine is sourced from PubChem (CID 130089695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).