4-bromo-5-chloro-1-cyclopropyl-7-methylindazole;ethane

C13H16BrClN2 — CID 168927546

IUPAC4-bromo-5-chloro-1-cyclopropyl-7-methylindazole;ethane
SMILESCC.Cc1cc(Cl)c(Br)c2cnn(C3CC3)c12
InChIInChI=1S/C11H10BrClN2.C2H6/c1-6-4-9(13)10(12)8-5-14-15(11(6)8)7-2-3-7;1-2/h4-5,7H,2-3H2,1H3;1-2H3
InChIKeyLXKWLSAHYBLKOD-UHFFFAOYSA-N
MW315.64 g/mol
LogP5.12
Rot. Bonds1

About 4-bromo-5-chloro-1-cyclopropyl-7-methylindazole;ethane

4-bromo-5-chloro-1-cyclopropyl-7-methylindazole;ethane (PubChem CID 168927546) has the molecular formula C13H16BrClN2 and a molecular weight of 315.64 g/mol. Its IUPAC name is 4-bromo-5-chloro-1-cyclopropyl-7-methylindazole;ethane.

Molecular Properties

Compound Name4-bromo-5-chloro-1-cyclopropyl-7-methylindazole;ethane
PubChem CID168927546
Molecular FormulaC13H16BrClN2
Molecular Weight315.64 g/mol
Exact Mass314.02
IUPAC Name4-bromo-5-chloro-1-cyclopropyl-7-methylindazole;ethane
SMILESCC.Cc1cc(Cl)c(Br)c2cnn(C3CC3)c12
InChIInChI=1S/C11H10BrClN2.C2H6/c1-6-4-9(13)10(12)8-5-14-15(11(6)8)7-2-3-7;1-2/h4-5,7H,2-3H2,1H3;1-2H3
InChIKeyLXKWLSAHYBLKOD-UHFFFAOYSA-N
XLogP5.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.64
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chloro-1-cyclopropyl-7-methylindazole;ethane?
The IUPAC name of 4-bromo-5-chloro-1-cyclopropyl-7-methylindazole;ethane (CID 168927546) is 4-bromo-5-chloro-1-cyclopropyl-7-methylindazole;ethane.
What is the SMILES notation for 4-bromo-5-chloro-1-cyclopropyl-7-methylindazole;ethane?
The canonical SMILES for 4-bromo-5-chloro-1-cyclopropyl-7-methylindazole;ethane is CC.Cc1cc(Cl)c(Br)c2cnn(C3CC3)c12.
What is the InChIKey of 4-bromo-5-chloro-1-cyclopropyl-7-methylindazole;ethane?
The InChIKey is LXKWLSAHYBLKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2.C2H6/c1-6-4-9(13)10(12)8-5-14-15(11(6)8)7-2-3-7;1-2/h4-5,7H,2-3H2,1H3;1-2H3.
What are the key properties of 4-bromo-5-chloro-1-cyclopropyl-7-methylindazole;ethane?
4-bromo-5-chloro-1-cyclopropyl-7-methylindazole;ethane has a molecular weight of 315.64 g/mol, XLogP of 5.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-chloro-1-cyclopropyl-7-methylindazole;ethane is sourced from PubChem (CID 168927546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).