2-[(4-chlorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine

C17H13ClF3N3O2 — CID 18974758

IUPAC2-[(4-chlorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine
SMILESCn1nc(C(F)(F)F)cc1Oc1cccc(COc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H13ClF3N3O2/c1-24-16(9-14(23-24)17(19,20)21)26-15-4-2-3-12(22-15)10-25-13-7-5-11(18)6-8-13/h2-9H,10H2,1H3
InChIKeyNIVCGMKBGMMJMH-UHFFFAOYSA-N
MW383.76 g/mol
LogP4.86
Rot. Bonds5

About 2-[(4-chlorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine

2-[(4-chlorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine (PubChem CID 18974758) has the molecular formula C17H13ClF3N3O2 and a molecular weight of 383.76 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine
PubChem CID18974758
Molecular FormulaC17H13ClF3N3O2
Molecular Weight383.76 g/mol
Exact Mass383.06
IUPAC Name2-[(4-chlorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine
SMILESCn1nc(C(F)(F)F)cc1Oc1cccc(COc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H13ClF3N3O2/c1-24-16(9-14(23-24)17(19,20)21)26-15-4-2-3-12(22-15)10-25-13-7-5-11(18)6-8-13/h2-9H,10H2,1H3
InChIKeyNIVCGMKBGMMJMH-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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine (CID 18974758) is 2-[(4-chlorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine is Cn1nc(C(F)(F)F)cc1Oc1cccc(COc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine?
The InChIKey is NIVCGMKBGMMJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N3O2/c1-24-16(9-14(23-24)17(19,20)21)26-15-4-2-3-12(22-15)10-25-13-7-5-11(18)6-8-13/h2-9H,10H2,1H3.
What are the key properties of 2-[(4-chlorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine?
2-[(4-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-[(4-chlorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine is sourced from PubChem (CID 18974758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).