3-[(2-chloro-6-fluorophenyl)methoxy]-1-methylpyrazole

C11H10ClFN2O — CID 160629851

IUPAC3-[(2-chloro-6-fluorophenyl)methoxy]-1-methylpyrazole
SMILESCn1ccc(OCc2c(F)cccc2Cl)n1
InChIInChI=1S/C11H10ClFN2O/c1-15-6-5-11(14-15)16-7-8-9(12)3-2-4-10(8)13/h2-6H,7H2,1H3
InChIKeyRHTYCVWILRQRQZ-UHFFFAOYSA-N
MW240.67 g/mol
LogP2.79
Rot. Bonds3

About 3-[(2-chloro-6-fluorophenyl)methoxy]-1-methylpyrazole

3-[(2-chloro-6-fluorophenyl)methoxy]-1-methylpyrazole (PubChem CID 160629851) has the molecular formula C11H10ClFN2O and a molecular weight of 240.67 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methoxy]-1-methylpyrazole.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methoxy]-1-methylpyrazole
PubChem CID160629851
Molecular FormulaC11H10ClFN2O
Molecular Weight240.67 g/mol
Exact Mass240.05
IUPAC Name3-[(2-chloro-6-fluorophenyl)methoxy]-1-methylpyrazole
SMILESCn1ccc(OCc2c(F)cccc2Cl)n1
InChIInChI=1S/C11H10ClFN2O/c1-15-6-5-11(14-15)16-7-8-9(12)3-2-4-10(8)13/h2-6H,7H2,1H3
InChIKeyRHTYCVWILRQRQZ-UHFFFAOYSA-N
XLogP2.79
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methoxy]-1-methylpyrazole?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methoxy]-1-methylpyrazole (CID 160629851) is 3-[(2-chloro-6-fluorophenyl)methoxy]-1-methylpyrazole.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methoxy]-1-methylpyrazole?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methoxy]-1-methylpyrazole is Cn1ccc(OCc2c(F)cccc2Cl)n1.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methoxy]-1-methylpyrazole?
The InChIKey is RHTYCVWILRQRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c1-15-6-5-11(14-15)16-7-8-9(12)3-2-4-10(8)13/h2-6H,7H2,1H3.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methoxy]-1-methylpyrazole?
3-[(2-chloro-6-fluorophenyl)methoxy]-1-methylpyrazole has a molecular weight of 240.67 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methoxy]-1-methylpyrazole is sourced from PubChem (CID 160629851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).