2-chloro-5-methoxy-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine

C12H8ClF3N2O — CID 118008280

IUPAC2-chloro-5-methoxy-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine
SMILESCOc1cnc(Cl)cc1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H8ClF3N2O/c1-19-9-6-18-11(13)4-8(9)7-2-3-10(17-5-7)12(14,15)16/h2-6H,1H3
InChIKeyYCVCCEKAOZOVNC-UHFFFAOYSA-N
MW288.66 g/mol
LogP3.82
Rot. Bonds2

About 2-chloro-5-methoxy-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine

2-chloro-5-methoxy-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine (PubChem CID 118008280) has the molecular formula C12H8ClF3N2O and a molecular weight of 288.66 g/mol. Its IUPAC name is 2-chloro-5-methoxy-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-methoxy-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine
PubChem CID118008280
Molecular FormulaC12H8ClF3N2O
Molecular Weight288.66 g/mol
Exact Mass288.03
IUPAC Name2-chloro-5-methoxy-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine
SMILESCOc1cnc(Cl)cc1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H8ClF3N2O/c1-19-9-6-18-11(13)4-8(9)7-2-3-10(17-5-7)12(14,15)16/h2-6H,1H3
InChIKeyYCVCCEKAOZOVNC-UHFFFAOYSA-N
XLogP3.82
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.66
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methoxy-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine?
The IUPAC name of 2-chloro-5-methoxy-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine (CID 118008280) is 2-chloro-5-methoxy-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine.
What is the SMILES notation for 2-chloro-5-methoxy-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine?
The canonical SMILES for 2-chloro-5-methoxy-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine is COc1cnc(Cl)cc1-c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 2-chloro-5-methoxy-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine?
The InChIKey is YCVCCEKAOZOVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2O/c1-19-9-6-18-11(13)4-8(9)7-2-3-10(17-5-7)12(14,15)16/h2-6H,1H3.
What are the key properties of 2-chloro-5-methoxy-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine?
2-chloro-5-methoxy-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine has a molecular weight of 288.66 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methoxy-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine is sourced from PubChem (CID 118008280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).