3-chloro-2-ethyl-5-fluoroindazole

C9H8ClFN2 — CID 84721028

IUPAC3-chloro-2-ethyl-5-fluoroindazole
SMILESCCn1nc2ccc(F)cc2c1Cl
InChIInChI=1S/C9H8ClFN2/c1-2-13-9(10)7-5-6(11)3-4-8(7)12-13/h3-5H,2H2,1H3
InChIKeyUQPATQPYROEKLE-UHFFFAOYSA-N
MW198.63 g/mol
LogP2.85
Rot. Bonds1

About 3-chloro-2-ethyl-5-fluoroindazole

3-chloro-2-ethyl-5-fluoroindazole (PubChem CID 84721028) has the molecular formula C9H8ClFN2 and a molecular weight of 198.63 g/mol. Its IUPAC name is 3-chloro-2-ethyl-5-fluoroindazole.

Molecular Properties

Compound Name3-chloro-2-ethyl-5-fluoroindazole
PubChem CID84721028
Molecular FormulaC9H8ClFN2
Molecular Weight198.63 g/mol
Exact Mass198.04
IUPAC Name3-chloro-2-ethyl-5-fluoroindazole
SMILESCCn1nc2ccc(F)cc2c1Cl
InChIInChI=1S/C9H8ClFN2/c1-2-13-9(10)7-5-6(11)3-4-8(7)12-13/h3-5H,2H2,1H3
InChIKeyUQPATQPYROEKLE-UHFFFAOYSA-N
XLogP2.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.63
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-ethyl-5-fluoroindazole?
The IUPAC name of 3-chloro-2-ethyl-5-fluoroindazole (CID 84721028) is 3-chloro-2-ethyl-5-fluoroindazole.
What is the SMILES notation for 3-chloro-2-ethyl-5-fluoroindazole?
The canonical SMILES for 3-chloro-2-ethyl-5-fluoroindazole is CCn1nc2ccc(F)cc2c1Cl.
What is the InChIKey of 3-chloro-2-ethyl-5-fluoroindazole?
The InChIKey is UQPATQPYROEKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN2/c1-2-13-9(10)7-5-6(11)3-4-8(7)12-13/h3-5H,2H2,1H3.
What are the key properties of 3-chloro-2-ethyl-5-fluoroindazole?
3-chloro-2-ethyl-5-fluoroindazole has a molecular weight of 198.63 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-ethyl-5-fluoroindazole is sourced from PubChem (CID 84721028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).