3,5-dichloro-4-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]pyridine

C15H10Cl2FN3O — CID 15956840

IUPAC3,5-dichloro-4-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]pyridine
SMILESCOc1ccc(-c2ccn(-c3c(Cl)cncc3Cl)n2)c(F)c1
InChIInChI=1S/C15H10Cl2FN3O/c1-22-9-2-3-10(13(18)6-9)14-4-5-21(20-14)15-11(16)7-19-8-12(15)17/h2-8H,1H3
InChIKeyZXEYRACYYDMYNB-UHFFFAOYSA-N
MW338.17 g/mol
LogP4.39
Rot. Bonds3

About 3,5-dichloro-4-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]pyridine

3,5-dichloro-4-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]pyridine (PubChem CID 15956840) has the molecular formula C15H10Cl2FN3O and a molecular weight of 338.17 g/mol. Its IUPAC name is 3,5-dichloro-4-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name3,5-dichloro-4-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]pyridine
PubChem CID15956840
Molecular FormulaC15H10Cl2FN3O
Molecular Weight338.17 g/mol
Exact Mass337.02
IUPAC Name3,5-dichloro-4-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]pyridine
SMILESCOc1ccc(-c2ccn(-c3c(Cl)cncc3Cl)n2)c(F)c1
InChIInChI=1S/C15H10Cl2FN3O/c1-22-9-2-3-10(13(18)6-9)14-4-5-21(20-14)15-11(16)7-19-8-12(15)17/h2-8H,1H3
InChIKeyZXEYRACYYDMYNB-UHFFFAOYSA-N
XLogP4.39
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]pyridine?
The IUPAC name of 3,5-dichloro-4-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]pyridine (CID 15956840) is 3,5-dichloro-4-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]pyridine.
What is the SMILES notation for 3,5-dichloro-4-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]pyridine?
The canonical SMILES for 3,5-dichloro-4-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]pyridine is COc1ccc(-c2ccn(-c3c(Cl)cncc3Cl)n2)c(F)c1.
What is the InChIKey of 3,5-dichloro-4-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]pyridine?
The InChIKey is ZXEYRACYYDMYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FN3O/c1-22-9-2-3-10(13(18)6-9)14-4-5-21(20-14)15-11(16)7-19-8-12(15)17/h2-8H,1H3.
What are the key properties of 3,5-dichloro-4-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]pyridine?
3,5-dichloro-4-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]pyridine has a molecular weight of 338.17 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[3-(2-fluoro-4-methoxyphenyl)pyrazol-1-yl]pyridine is sourced from PubChem (CID 15956840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).