5-bromo-1H-indazole;5-bromo-1-(2-methoxyethyl)indazole;5-bromo-2-(2-methoxyethyl)indazole

C27H27Br3N6O2 — CID 159724767

IUPAC5-bromo-1H-indazole;5-bromo-1-(2-methoxyethyl)indazole;5-bromo-2-(2-methoxyethyl)indazole
SMILESBrc1ccc2[nH]ncc2c1.COCCn1cc2cc(Br)ccc2n1.COCCn1ncc2cc(Br)ccc21
InChIInChI=1S/2C10H11BrN2O.C7H5BrN2/c1-14-5-4-13-7-8-6-9(11)2-3-10(8)12-13;1-14-5-4-13-10-3-2-9(11)6-8(10)7-12-13;8-6-1-2-7-5(3-6)4-9-10-7/h2*2-3,6-7H,4-5H2,1H3;1-4H,(H,9,10)
InChIKeyNAMLIUUZTOBNFI-UHFFFAOYSA-N
MW707.27 g/mol
LogP7.22
Rot. Bonds6

About 5-bromo-1H-indazole;5-bromo-1-(2-methoxyethyl)indazole;5-bromo-2-(2-methoxyethyl)indazole

5-bromo-1H-indazole;5-bromo-1-(2-methoxyethyl)indazole;5-bromo-2-(2-methoxyethyl)indazole (PubChem CID 159724767) has the molecular formula C27H27Br3N6O2 and a molecular weight of 707.27 g/mol. Its IUPAC name is 5-bromo-1H-indazole;5-bromo-1-(2-methoxyethyl)indazole;5-bromo-2-(2-methoxyethyl)indazole.

Molecular Properties

Compound Name5-bromo-1H-indazole;5-bromo-1-(2-methoxyethyl)indazole;5-bromo-2-(2-methoxyethyl)indazole
PubChem CID159724767
Molecular FormulaC27H27Br3N6O2
Molecular Weight707.27 g/mol
Exact Mass703.97
IUPAC Name5-bromo-1H-indazole;5-bromo-1-(2-methoxyethyl)indazole;5-bromo-2-(2-methoxyethyl)indazole
SMILESBrc1ccc2[nH]ncc2c1.COCCn1cc2cc(Br)ccc2n1.COCCn1ncc2cc(Br)ccc21
InChIInChI=1S/2C10H11BrN2O.C7H5BrN2/c1-14-5-4-13-7-8-6-9(11)2-3-10(8)12-13;1-14-5-4-13-10-3-2-9(11)6-8(10)7-12-13;8-6-1-2-7-5(3-6)4-9-10-7/h2*2-3,6-7H,4-5H2,1H3;1-4H,(H,9,10)
InChIKeyNAMLIUUZTOBNFI-UHFFFAOYSA-N
XLogP7.22
TPSA82.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.27
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-Bromo-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazole
CID 83446614
4-bromo-2-[(3-fluorophenyl)methyl]indazole;4-bromo-1H-indazole
CID 67187019
2-benzyl-4-bromoindazole;4-bromo-1H-indazole
CID 67187568
4-bromo-2-[(2-fluorophenyl)methyl]indazole;4-bromo-1H-indazole
CID 67187928
5-Bromo-2-(2-methoxyethyl)-2H-indazole
CID 68608841
5-Bromo-2-[2-(2-ethoxyethoxy)ethyl]indazole
CID 89537638
5-bromo-7-[3-methyl-1-(3-methylpyrazol-1-yl)butyl]-1H-indazole
CID 118257634
5-bromo-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole
CID 118960005
4-[4-[4-(5-bromo-1H-indazol-3-yl)triazol-1-yl]phenyl]morpholine
CID 141342534
5-bromo-1-cyclopropylindazole;5-bromo-1H-indazole;methane
CID 142559439
5-bromo-4-fluoro-1H-indazole;5-bromo-4-fluoro-2-methylindazole
CID 157061957
5-bromo-1H-indazole;2-[(5-bromoindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 157109889

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-indazole;5-bromo-1-(2-methoxyethyl)indazole;5-bromo-2-(2-methoxyethyl)indazole?
The IUPAC name of 5-bromo-1H-indazole;5-bromo-1-(2-methoxyethyl)indazole;5-bromo-2-(2-methoxyethyl)indazole (CID 159724767) is 5-bromo-1H-indazole;5-bromo-1-(2-methoxyethyl)indazole;5-bromo-2-(2-methoxyethyl)indazole.
What is the SMILES notation for 5-bromo-1H-indazole;5-bromo-1-(2-methoxyethyl)indazole;5-bromo-2-(2-methoxyethyl)indazole?
The canonical SMILES for 5-bromo-1H-indazole;5-bromo-1-(2-methoxyethyl)indazole;5-bromo-2-(2-methoxyethyl)indazole is Brc1ccc2[nH]ncc2c1.COCCn1cc2cc(Br)ccc2n1.COCCn1ncc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1H-indazole;5-bromo-1-(2-methoxyethyl)indazole;5-bromo-2-(2-methoxyethyl)indazole?
The InChIKey is NAMLIUUZTOBNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H11BrN2O.C7H5BrN2/c1-14-5-4-13-7-8-6-9(11)2-3-10(8)12-13;1-14-5-4-13-10-3-2-9(11)6-8(10)7-12-13;8-6-1-2-7-5(3-6)4-9-10-7/h2*2-3,6-7H,4-5H2,1H3;1-4H,(H,9,10).
What are the key properties of 5-bromo-1H-indazole;5-bromo-1-(2-methoxyethyl)indazole;5-bromo-2-(2-methoxyethyl)indazole?
5-bromo-1H-indazole;5-bromo-1-(2-methoxyethyl)indazole;5-bromo-2-(2-methoxyethyl)indazole has a molecular weight of 707.27 g/mol, XLogP of 7.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1H-indazole;5-bromo-1-(2-methoxyethyl)indazole;5-bromo-2-(2-methoxyethyl)indazole is sourced from PubChem (CID 159724767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).