5-(2-chloro-6-fluorophenyl)-1-methylpyrazole

C10H8ClFN2 — CID 175129840

IUPAC5-(2-chloro-6-fluorophenyl)-1-methylpyrazole
SMILESCn1nccc1-c1c(F)cccc1Cl
InChIInChI=1S/C10H8ClFN2/c1-14-9(5-6-13-14)10-7(11)3-2-4-8(10)12/h2-6H,1H3
InChIKeySASLJONWBPDLMA-UHFFFAOYSA-N
MW210.64 g/mol
LogP2.88
Rot. Bonds1

About 5-(2-chloro-6-fluorophenyl)-1-methylpyrazole

5-(2-chloro-6-fluorophenyl)-1-methylpyrazole (PubChem CID 175129840) has the molecular formula C10H8ClFN2 and a molecular weight of 210.64 g/mol. Its IUPAC name is 5-(2-chloro-6-fluorophenyl)-1-methylpyrazole.

Molecular Properties

Compound Name5-(2-chloro-6-fluorophenyl)-1-methylpyrazole
PubChem CID175129840
Molecular FormulaC10H8ClFN2
Molecular Weight210.64 g/mol
Exact Mass210.04
IUPAC Name5-(2-chloro-6-fluorophenyl)-1-methylpyrazole
SMILESCn1nccc1-c1c(F)cccc1Cl
InChIInChI=1S/C10H8ClFN2/c1-14-9(5-6-13-14)10-7(11)3-2-4-8(10)12/h2-6H,1H3
InChIKeySASLJONWBPDLMA-UHFFFAOYSA-N
XLogP2.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.64
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-fluorophenyl)-1-methylpyrazole?
The IUPAC name of 5-(2-chloro-6-fluorophenyl)-1-methylpyrazole (CID 175129840) is 5-(2-chloro-6-fluorophenyl)-1-methylpyrazole.
What is the SMILES notation for 5-(2-chloro-6-fluorophenyl)-1-methylpyrazole?
The canonical SMILES for 5-(2-chloro-6-fluorophenyl)-1-methylpyrazole is Cn1nccc1-c1c(F)cccc1Cl.
What is the InChIKey of 5-(2-chloro-6-fluorophenyl)-1-methylpyrazole?
The InChIKey is SASLJONWBPDLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2/c1-14-9(5-6-13-14)10-7(11)3-2-4-8(10)12/h2-6H,1H3.
What are the key properties of 5-(2-chloro-6-fluorophenyl)-1-methylpyrazole?
5-(2-chloro-6-fluorophenyl)-1-methylpyrazole has a molecular weight of 210.64 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-fluorophenyl)-1-methylpyrazole is sourced from PubChem (CID 175129840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).