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

C7H5ClF3NO — CID 2736618

IUPAC3-chloro-2-methoxy-5-(trifluoromethyl)pyridine
SMILESCOc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C7H5ClF3NO/c1-13-6-5(8)2-4(3-12-6)7(9,10)11/h2-3H,1H3
InChIKeyZRRBUQUZQJTWRO-UHFFFAOYSA-N
MW211.57 g/mol
LogP2.76
Rot. Bonds1

About 3-chloro-2-methoxy-5-(trifluoromethyl)pyridine

3-chloro-2-methoxy-5-(trifluoromethyl)pyridine (PubChem CID 2736618) has the molecular formula C7H5ClF3NO and a molecular weight of 211.57 g/mol. Its IUPAC name is 3-chloro-2-methoxy-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-methoxy-5-(trifluoromethyl)pyridine
PubChem CID2736618
Molecular FormulaC7H5ClF3NO
Molecular Weight211.57 g/mol
Exact Mass211.00
IUPAC Name3-chloro-2-methoxy-5-(trifluoromethyl)pyridine
SMILESCOc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C7H5ClF3NO/c1-13-6-5(8)2-4(3-12-6)7(9,10)11/h2-3H,1H3
InChIKeyZRRBUQUZQJTWRO-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 3-chloro-2-methoxy-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-methoxy-5-(trifluoromethyl)pyridine (CID 2736618) is 3-chloro-2-methoxy-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-methoxy-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-methoxy-5-(trifluoromethyl)pyridine is COc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-2-methoxy-5-(trifluoromethyl)pyridine?
The InChIKey is ZRRBUQUZQJTWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO/c1-13-6-5(8)2-4(3-12-6)7(9,10)11/h2-3H,1H3.
What are the key properties of 3-chloro-2-methoxy-5-(trifluoromethyl)pyridine?
3-chloro-2-methoxy-5-(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 3-chloro-2-methoxy-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 2736618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).