6-chloro-4-fluoro-2-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine

C14H15ClFN3O2 — CID 165117182

IUPAC6-chloro-4-fluoro-2-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine
SMILESCOc1nc(Cl)cc(F)c1-c1cnn(C2CCCCO2)c1
InChIInChI=1S/C14H15ClFN3O2/c1-20-14-13(10(16)6-11(15)18-14)9-7-17-19(8-9)12-4-2-3-5-21-12/h6-8,12H,2-5H2,1H3
InChIKeyCIBBILSMVSEOBF-UHFFFAOYSA-N
MW311.74 g/mol
LogP3.45
Rot. Bonds3

About 6-chloro-4-fluoro-2-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine

6-chloro-4-fluoro-2-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine (PubChem CID 165117182) has the molecular formula C14H15ClFN3O2 and a molecular weight of 311.74 g/mol. Its IUPAC name is 6-chloro-4-fluoro-2-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name6-chloro-4-fluoro-2-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine
PubChem CID165117182
Molecular FormulaC14H15ClFN3O2
Molecular Weight311.74 g/mol
Exact Mass311.08
IUPAC Name6-chloro-4-fluoro-2-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine
SMILESCOc1nc(Cl)cc(F)c1-c1cnn(C2CCCCO2)c1
InChIInChI=1S/C14H15ClFN3O2/c1-20-14-13(10(16)6-11(15)18-14)9-7-17-19(8-9)12-4-2-3-5-21-12/h6-8,12H,2-5H2,1H3
InChIKeyCIBBILSMVSEOBF-UHFFFAOYSA-N
XLogP3.45
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.74
LogP ≤ 53.45
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 6-chloro-4-fluoro-2-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine?
The IUPAC name of 6-chloro-4-fluoro-2-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine (CID 165117182) is 6-chloro-4-fluoro-2-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine.
What is the SMILES notation for 6-chloro-4-fluoro-2-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine?
The canonical SMILES for 6-chloro-4-fluoro-2-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine is COc1nc(Cl)cc(F)c1-c1cnn(C2CCCCO2)c1.
What is the InChIKey of 6-chloro-4-fluoro-2-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine?
The InChIKey is CIBBILSMVSEOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O2/c1-20-14-13(10(16)6-11(15)18-14)9-7-17-19(8-9)12-4-2-3-5-21-12/h6-8,12H,2-5H2,1H3.
What are the key properties of 6-chloro-4-fluoro-2-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine?
6-chloro-4-fluoro-2-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine has a molecular weight of 311.74 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-fluoro-2-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine is sourced from PubChem (CID 165117182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).