2-[(3-chlorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine

C17H13ClF3N3O2 — CID 18974772

IUPAC2-[(3-chlorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine
SMILESCn1nc(C(F)(F)F)cc1Oc1cccc(COc2cccc(Cl)c2)n1
InChIInChI=1S/C17H13ClF3N3O2/c1-24-16(9-14(23-24)17(19,20)21)26-15-7-3-5-12(22-15)10-25-13-6-2-4-11(18)8-13/h2-9H,10H2,1H3
InChIKeyKPXIQMFDHOQCGA-UHFFFAOYSA-N
MW383.76 g/mol
LogP4.86
Rot. Bonds5

About 2-[(3-chlorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine

2-[(3-chlorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine (PubChem CID 18974772) has the molecular formula C17H13ClF3N3O2 and a molecular weight of 383.76 g/mol. Its IUPAC name is 2-[(3-chlorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine.

Molecular Properties

Compound Name2-[(3-chlorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine
PubChem CID18974772
Molecular FormulaC17H13ClF3N3O2
Molecular Weight383.76 g/mol
Exact Mass383.06
IUPAC Name2-[(3-chlorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine
SMILESCn1nc(C(F)(F)F)cc1Oc1cccc(COc2cccc(Cl)c2)n1
InChIInChI=1S/C17H13ClF3N3O2/c1-24-16(9-14(23-24)17(19,20)21)26-15-7-3-5-12(22-15)10-25-13-6-2-4-11(18)8-13/h2-9H,10H2,1H3
InChIKeyKPXIQMFDHOQCGA-UHFFFAOYSA-N
XLogP4.86
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.76
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 138471368
CID 138471368
CID 71813658
CID 71813658
CID 139082447
CID 139082447
CID 11667539
CID 11667539
CID 11667540
CID 11667540
CID 17895823
CID 17895823
CID 17895824
CID 17895824
CID 17895826
CID 17895826
CID 17980394
CID 17980394
CID 18359732
CID 18359732
CID 18974746
CID 18974746
CID 18974748
CID 18974748

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine?
The IUPAC name of 2-[(3-chlorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine (CID 18974772) is 2-[(3-chlorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine.
What is the SMILES notation for 2-[(3-chlorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine?
The canonical SMILES for 2-[(3-chlorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine is Cn1nc(C(F)(F)F)cc1Oc1cccc(COc2cccc(Cl)c2)n1.
What is the InChIKey of 2-[(3-chlorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine?
The InChIKey is KPXIQMFDHOQCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N3O2/c1-24-16(9-14(23-24)17(19,20)21)26-15-7-3-5-12(22-15)10-25-13-6-2-4-11(18)8-13/h2-9H,10H2,1H3.
What are the key properties of 2-[(3-chlorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine?
2-[(3-chlorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine has a molecular weight of 383.76 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine is sourced from PubChem (CID 18974772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).