6-chloro-5-(1-fluorocyclopropyl)-4-methyl-1H-indazole

C11H10ClFN2 — CID 176974904

IUPAC6-chloro-5-(1-fluorocyclopropyl)-4-methyl-1H-indazole
SMILESCc1c(C2(F)CC2)c(Cl)cc2[nH]ncc12
InChIInChI=1S/C11H10ClFN2/c1-6-7-5-14-15-9(7)4-8(12)10(6)11(13)2-3-11/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyHUEQUODPHSJRBT-UHFFFAOYSA-N
MW224.67 g/mol
LogP3.48
Rot. Bonds1

About 6-chloro-5-(1-fluorocyclopropyl)-4-methyl-1H-indazole

6-chloro-5-(1-fluorocyclopropyl)-4-methyl-1H-indazole (PubChem CID 176974904) has the molecular formula C11H10ClFN2 and a molecular weight of 224.67 g/mol. Its IUPAC name is 6-chloro-5-(1-fluorocyclopropyl)-4-methyl-1H-indazole.

Molecular Properties

Compound Name6-chloro-5-(1-fluorocyclopropyl)-4-methyl-1H-indazole
PubChem CID176974904
Molecular FormulaC11H10ClFN2
Molecular Weight224.67 g/mol
Exact Mass224.05
IUPAC Name6-chloro-5-(1-fluorocyclopropyl)-4-methyl-1H-indazole
SMILESCc1c(C2(F)CC2)c(Cl)cc2[nH]ncc12
InChIInChI=1S/C11H10ClFN2/c1-6-7-5-14-15-9(7)4-8(12)10(6)11(13)2-3-11/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyHUEQUODPHSJRBT-UHFFFAOYSA-N
XLogP3.48
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.67
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(1-fluorocyclopropyl)-4-methyl-1H-indazole?
The IUPAC name of 6-chloro-5-(1-fluorocyclopropyl)-4-methyl-1H-indazole (CID 176974904) is 6-chloro-5-(1-fluorocyclopropyl)-4-methyl-1H-indazole.
What is the SMILES notation for 6-chloro-5-(1-fluorocyclopropyl)-4-methyl-1H-indazole?
The canonical SMILES for 6-chloro-5-(1-fluorocyclopropyl)-4-methyl-1H-indazole is Cc1c(C2(F)CC2)c(Cl)cc2[nH]ncc12.
What is the InChIKey of 6-chloro-5-(1-fluorocyclopropyl)-4-methyl-1H-indazole?
The InChIKey is HUEQUODPHSJRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2/c1-6-7-5-14-15-9(7)4-8(12)10(6)11(13)2-3-11/h4-5H,2-3H2,1H3,(H,14,15).
What are the key properties of 6-chloro-5-(1-fluorocyclopropyl)-4-methyl-1H-indazole?
6-chloro-5-(1-fluorocyclopropyl)-4-methyl-1H-indazole has a molecular weight of 224.67 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(1-fluorocyclopropyl)-4-methyl-1H-indazole is sourced from PubChem (CID 176974904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).