3-chloro-2-(4-chloro-5-methylpyrazol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine

C11H8Cl2F3N3O — CID 54060406

IUPAC3-chloro-2-(4-chloro-5-methylpyrazol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine
SMILESCOc1nc(-n2ncc(Cl)c2C)c(Cl)cc1C(F)(F)F
InChIInChI=1S/C11H8Cl2F3N3O/c1-5-8(13)4-17-19(5)9-7(12)3-6(11(14,15)16)10(18-9)20-2/h3-4H,1-2H3
InChIKeyLZHQFRUYONLDSH-UHFFFAOYSA-N
MW326.11 g/mol
LogP3.91
Rot. Bonds2

About 3-chloro-2-(4-chloro-5-methylpyrazol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine

3-chloro-2-(4-chloro-5-methylpyrazol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine (PubChem CID 54060406) has the molecular formula C11H8Cl2F3N3O and a molecular weight of 326.11 g/mol. Its IUPAC name is 3-chloro-2-(4-chloro-5-methylpyrazol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(4-chloro-5-methylpyrazol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine
PubChem CID54060406
Molecular FormulaC11H8Cl2F3N3O
Molecular Weight326.11 g/mol
Exact Mass325.00
IUPAC Name3-chloro-2-(4-chloro-5-methylpyrazol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine
SMILESCOc1nc(-n2ncc(Cl)c2C)c(Cl)cc1C(F)(F)F
InChIInChI=1S/C11H8Cl2F3N3O/c1-5-8(13)4-17-19(5)9-7(12)3-6(11(14,15)16)10(18-9)20-2/h3-4H,1-2H3
InChIKeyLZHQFRUYONLDSH-UHFFFAOYSA-N
XLogP3.91
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.11
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-chloro-5-methylpyrazol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-(4-chloro-5-methylpyrazol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine (CID 54060406) is 3-chloro-2-(4-chloro-5-methylpyrazol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-(4-chloro-5-methylpyrazol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-(4-chloro-5-methylpyrazol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine is COc1nc(-n2ncc(Cl)c2C)c(Cl)cc1C(F)(F)F.
What is the InChIKey of 3-chloro-2-(4-chloro-5-methylpyrazol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine?
The InChIKey is LZHQFRUYONLDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2F3N3O/c1-5-8(13)4-17-19(5)9-7(12)3-6(11(14,15)16)10(18-9)20-2/h3-4H,1-2H3.
What are the key properties of 3-chloro-2-(4-chloro-5-methylpyrazol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine?
3-chloro-2-(4-chloro-5-methylpyrazol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine has a molecular weight of 326.11 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4-chloro-5-methylpyrazol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 54060406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).