5-bromo-4-chloro-2-ethylindazole;5-bromo-4-chloro-1H-indazole

C16H12Br2Cl2N4 — CID 157343017

IUPAC5-bromo-4-chloro-2-ethylindazole;5-bromo-4-chloro-1H-indazole
SMILESCCn1cc2c(Cl)c(Br)ccc2n1.Clc1c(Br)ccc2[nH]ncc12
InChIInChI=1S/C9H8BrClN2.C7H4BrClN2/c1-2-13-5-6-8(12-13)4-3-7(10)9(6)11;8-5-1-2-6-4(7(5)9)3-10-11-6/h3-5H,2H2,1H3;1-3H,(H,10,11)
InChIKeyBGPVTWHOXYAPQQ-UHFFFAOYSA-N
MW491.01 g/mol
LogP6.45
Rot. Bonds1

About 5-bromo-4-chloro-2-ethylindazole;5-bromo-4-chloro-1H-indazole

5-bromo-4-chloro-2-ethylindazole;5-bromo-4-chloro-1H-indazole (PubChem CID 157343017) has the molecular formula C16H12Br2Cl2N4 and a molecular weight of 491.01 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-ethylindazole;5-bromo-4-chloro-1H-indazole.

Molecular Properties

Compound Name5-bromo-4-chloro-2-ethylindazole;5-bromo-4-chloro-1H-indazole
PubChem CID157343017
Molecular FormulaC16H12Br2Cl2N4
Molecular Weight491.01 g/mol
Exact Mass487.88
IUPAC Name5-bromo-4-chloro-2-ethylindazole;5-bromo-4-chloro-1H-indazole
SMILESCCn1cc2c(Cl)c(Br)ccc2n1.Clc1c(Br)ccc2[nH]ncc12
InChIInChI=1S/C9H8BrClN2.C7H4BrClN2/c1-2-13-5-6-8(12-13)4-3-7(10)9(6)11;8-5-1-2-6-4(7(5)9)3-10-11-6/h3-5H,2H2,1H3;1-3H,(H,10,11)
InChIKeyBGPVTWHOXYAPQQ-UHFFFAOYSA-N
XLogP6.45
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.01
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-6-chloro-3-(1-methylpyrazol-4-yl)-1H-indazole
CID 164622174
5-Bromo-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazole
CID 83446614
5-Bromo-4-chloro-2-(fluoromethyl)indazole
CID 146307863
5-Bromo-4-chloro-1-phenylindazole
CID 59437254
4-bromo-2-[(3-chloro-5-fluorophenyl)methyl]indazole;4-bromo-1H-indazole
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4-bromo-2-[(3-chlorophenyl)methyl]indazole;4-bromo-1H-indazole
CID 67186901
5-Bromo-4-chloro-1-methyl-1H-indazole
CID 84705237
5-bromo-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole
CID 118960005
4-chloro-5-[(4-chloro-1H-indazol-2-ium-2-yl)methyl]-3-ethyl-2H-indazole
CID 123895130
5-bromo-1-cyclopropylindazole;5-bromo-1H-indazole;methane
CID 142559439
5-Bromo-4-chloro-2-ethyl-2H-indazole
CID 146307837
5-Bromo-4-chloro-2-methyl-2H-indazole
CID 146307905

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-ethylindazole;5-bromo-4-chloro-1H-indazole?
The IUPAC name of 5-bromo-4-chloro-2-ethylindazole;5-bromo-4-chloro-1H-indazole (CID 157343017) is 5-bromo-4-chloro-2-ethylindazole;5-bromo-4-chloro-1H-indazole.
What is the SMILES notation for 5-bromo-4-chloro-2-ethylindazole;5-bromo-4-chloro-1H-indazole?
The canonical SMILES for 5-bromo-4-chloro-2-ethylindazole;5-bromo-4-chloro-1H-indazole is CCn1cc2c(Cl)c(Br)ccc2n1.Clc1c(Br)ccc2[nH]ncc12.
What is the InChIKey of 5-bromo-4-chloro-2-ethylindazole;5-bromo-4-chloro-1H-indazole?
The InChIKey is BGPVTWHOXYAPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClN2.C7H4BrClN2/c1-2-13-5-6-8(12-13)4-3-7(10)9(6)11;8-5-1-2-6-4(7(5)9)3-10-11-6/h3-5H,2H2,1H3;1-3H,(H,10,11).
What are the key properties of 5-bromo-4-chloro-2-ethylindazole;5-bromo-4-chloro-1H-indazole?
5-bromo-4-chloro-2-ethylindazole;5-bromo-4-chloro-1H-indazole has a molecular weight of 491.01 g/mol, XLogP of 6.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-ethylindazole;5-bromo-4-chloro-1H-indazole is sourced from PubChem (CID 157343017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).