2-chloro-4-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methoxy]pyridine

C16H12ClF3N4O2 — CID 18974753

IUPAC2-chloro-4-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methoxy]pyridine
SMILESCn1nc(C(F)(F)F)cc1Oc1cccc(COc2ccnc(Cl)c2)n1
InChIInChI=1S/C16H12ClF3N4O2/c1-24-15(8-12(23-24)16(18,19)20)26-14-4-2-3-10(22-14)9-25-11-5-6-21-13(17)7-11/h2-8H,9H2,1H3
InChIKeyVLFYUGLPYGSRBA-UHFFFAOYSA-N
MW384.75 g/mol
LogP4.25
Rot. Bonds5

About 2-chloro-4-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methoxy]pyridine

2-chloro-4-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methoxy]pyridine (PubChem CID 18974753) has the molecular formula C16H12ClF3N4O2 and a molecular weight of 384.75 g/mol. Its IUPAC name is 2-chloro-4-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methoxy]pyridine.

Molecular Properties

Compound Name2-chloro-4-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methoxy]pyridine
PubChem CID18974753
Molecular FormulaC16H12ClF3N4O2
Molecular Weight384.75 g/mol
Exact Mass384.06
IUPAC Name2-chloro-4-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methoxy]pyridine
SMILESCn1nc(C(F)(F)F)cc1Oc1cccc(COc2ccnc(Cl)c2)n1
InChIInChI=1S/C16H12ClF3N4O2/c1-24-15(8-12(23-24)16(18,19)20)26-14-4-2-3-10(22-14)9-25-11-5-6-21-13(17)7-11/h2-8H,9H2,1H3
InChIKeyVLFYUGLPYGSRBA-UHFFFAOYSA-N
XLogP4.25
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.75
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-4-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methoxy]pyridine?
The IUPAC name of 2-chloro-4-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methoxy]pyridine (CID 18974753) is 2-chloro-4-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methoxy]pyridine.
What is the SMILES notation for 2-chloro-4-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methoxy]pyridine?
The canonical SMILES for 2-chloro-4-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methoxy]pyridine is Cn1nc(C(F)(F)F)cc1Oc1cccc(COc2ccnc(Cl)c2)n1.
What is the InChIKey of 2-chloro-4-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methoxy]pyridine?
The InChIKey is VLFYUGLPYGSRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N4O2/c1-24-15(8-12(23-24)16(18,19)20)26-14-4-2-3-10(22-14)9-25-11-5-6-21-13(17)7-11/h2-8H,9H2,1H3.
What are the key properties of 2-chloro-4-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methoxy]pyridine?
2-chloro-4-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methoxy]pyridine has a molecular weight of 384.75 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]methoxy]pyridine is sourced from PubChem (CID 18974753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).