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

C11H6ClF3N4O — CID 11822811

IUPAC2-chloro-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine-4-carbonitrile
SMILESCn1nc(C(F)(F)F)cc1Oc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C11H6ClF3N4O/c1-19-10(4-7(18-19)11(13,14)15)20-9-3-6(5-16)2-8(12)17-9/h2-4H,1H3
InChIKeyNBRUVCLWTAZTSF-UHFFFAOYSA-N
MW302.64 g/mol
LogP3.15
Rot. Bonds2

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

2-chloro-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine-4-carbonitrile (PubChem CID 11822811) has the molecular formula C11H6ClF3N4O and a molecular weight of 302.64 g/mol. Its IUPAC name is 2-chloro-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine-4-carbonitrile
PubChem CID11822811
Molecular FormulaC11H6ClF3N4O
Molecular Weight302.64 g/mol
Exact Mass302.02
IUPAC Name2-chloro-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine-4-carbonitrile
SMILESCn1nc(C(F)(F)F)cc1Oc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C11H6ClF3N4O/c1-19-10(4-7(18-19)11(13,14)15)20-9-3-6(5-16)2-8(12)17-9/h2-4H,1H3
InChIKeyNBRUVCLWTAZTSF-UHFFFAOYSA-N
XLogP3.15
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.64
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine-4-carbonitrile (CID 11822811) is 2-chloro-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine-4-carbonitrile is Cn1nc(C(F)(F)F)cc1Oc1cc(C#N)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine-4-carbonitrile?
The InChIKey is NBRUVCLWTAZTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N4O/c1-19-10(4-7(18-19)11(13,14)15)20-9-3-6(5-16)2-8(12)17-9/h2-4H,1H3.
What are the key properties of 2-chloro-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine-4-carbonitrile?
2-chloro-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine-4-carbonitrile has a molecular weight of 302.64 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine-4-carbonitrile is sourced from PubChem (CID 11822811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).