5-chloro-2-methoxy-4-(trifluoromethyl)pyridine

C7H5ClF3NO — CID 118361834

IUPAC5-chloro-2-methoxy-4-(trifluoromethyl)pyridine
SMILESCOc1cc(C(F)(F)F)c(Cl)cn1
InChIInChI=1S/C7H5ClF3NO/c1-13-6-2-4(7(9,10)11)5(8)3-12-6/h2-3H,1H3
InChIKeyRSWYNJDGSYFCQW-UHFFFAOYSA-N
MW211.57 g/mol
LogP2.76
Rot. Bonds1

About 5-chloro-2-methoxy-4-(trifluoromethyl)pyridine

5-chloro-2-methoxy-4-(trifluoromethyl)pyridine (PubChem CID 118361834) has the molecular formula C7H5ClF3NO and a molecular weight of 211.57 g/mol. Its IUPAC name is 5-chloro-2-methoxy-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-chloro-2-methoxy-4-(trifluoromethyl)pyridine
PubChem CID118361834
Molecular FormulaC7H5ClF3NO
Molecular Weight211.57 g/mol
Exact Mass211.00
IUPAC Name5-chloro-2-methoxy-4-(trifluoromethyl)pyridine
SMILESCOc1cc(C(F)(F)F)c(Cl)cn1
InChIInChI=1S/C7H5ClF3NO/c1-13-6-2-4(7(9,10)11)5(8)3-12-6/h2-3H,1H3
InChIKeyRSWYNJDGSYFCQW-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-4-(trifluoromethyl)pyridine?
The IUPAC name of 5-chloro-2-methoxy-4-(trifluoromethyl)pyridine (CID 118361834) is 5-chloro-2-methoxy-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-chloro-2-methoxy-4-(trifluoromethyl)pyridine?
The canonical SMILES for 5-chloro-2-methoxy-4-(trifluoromethyl)pyridine is COc1cc(C(F)(F)F)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-methoxy-4-(trifluoromethyl)pyridine?
The InChIKey is RSWYNJDGSYFCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO/c1-13-6-2-4(7(9,10)11)5(8)3-12-6/h2-3H,1H3.
What are the key properties of 5-chloro-2-methoxy-4-(trifluoromethyl)pyridine?
5-chloro-2-methoxy-4-(trifluoromethyl)pyridine has a molecular weight of 211.57 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 118361834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).