5-bromo-4-chloro-2-ethyl-3-fluoroindazole

C9H7BrClFN2 — CID 146307953

IUPAC5-bromo-4-chloro-2-ethyl-3-fluoroindazole
SMILESCCn1nc2ccc(Br)c(Cl)c2c1F
InChIInChI=1S/C9H7BrClFN2/c1-2-14-9(12)7-6(13-14)4-3-5(10)8(7)11/h3-4H,2H2,1H3
InChIKeyDDMCWLJVUOCHTE-UHFFFAOYSA-N
MW277.52 g/mol
LogP3.61
Rot. Bonds1

About 5-bromo-4-chloro-2-ethyl-3-fluoroindazole

5-bromo-4-chloro-2-ethyl-3-fluoroindazole (PubChem CID 146307953) has the molecular formula C9H7BrClFN2 and a molecular weight of 277.52 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-ethyl-3-fluoroindazole.

Molecular Properties

Compound Name5-bromo-4-chloro-2-ethyl-3-fluoroindazole
PubChem CID146307953
Molecular FormulaC9H7BrClFN2
Molecular Weight277.52 g/mol
Exact Mass275.95
IUPAC Name5-bromo-4-chloro-2-ethyl-3-fluoroindazole
SMILESCCn1nc2ccc(Br)c(Cl)c2c1F
InChIInChI=1S/C9H7BrClFN2/c1-2-14-9(12)7-6(13-14)4-3-5(10)8(7)11/h3-4H,2H2,1H3
InChIKeyDDMCWLJVUOCHTE-UHFFFAOYSA-N
XLogP3.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.52
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-ethyl-3-fluoroindazole?
The IUPAC name of 5-bromo-4-chloro-2-ethyl-3-fluoroindazole (CID 146307953) is 5-bromo-4-chloro-2-ethyl-3-fluoroindazole.
What is the SMILES notation for 5-bromo-4-chloro-2-ethyl-3-fluoroindazole?
The canonical SMILES for 5-bromo-4-chloro-2-ethyl-3-fluoroindazole is CCn1nc2ccc(Br)c(Cl)c2c1F.
What is the InChIKey of 5-bromo-4-chloro-2-ethyl-3-fluoroindazole?
The InChIKey is DDMCWLJVUOCHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClFN2/c1-2-14-9(12)7-6(13-14)4-3-5(10)8(7)11/h3-4H,2H2,1H3.
What are the key properties of 5-bromo-4-chloro-2-ethyl-3-fluoroindazole?
5-bromo-4-chloro-2-ethyl-3-fluoroindazole has a molecular weight of 277.52 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-ethyl-3-fluoroindazole is sourced from PubChem (CID 146307953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).