5-bromo-7-methoxy-1H-indazole

C8H7BrN2O — CID 83669485

IUPAC5-bromo-7-methoxy-1H-indazole
SMILESCOc1cc(Br)cc2cn[nH]c12
InChIInChI=1S/C8H7BrN2O/c1-12-7-3-6(9)2-5-4-10-11-8(5)7/h2-4H,1H3,(H,10,11)
InChIKeyGLOTVIAEDAXCAT-UHFFFAOYSA-N
MW227.06 g/mol
LogP2.33
Rot. Bonds1

About 5-bromo-7-methoxy-1H-indazole

5-bromo-7-methoxy-1H-indazole (PubChem CID 83669485) has the molecular formula C8H7BrN2O and a molecular weight of 227.06 g/mol. Its IUPAC name is 5-bromo-7-methoxy-1H-indazole.

Molecular Properties

Compound Name5-bromo-7-methoxy-1H-indazole
PubChem CID83669485
Molecular FormulaC8H7BrN2O
Molecular Weight227.06 g/mol
Exact Mass225.97
IUPAC Name5-bromo-7-methoxy-1H-indazole
SMILESCOc1cc(Br)cc2cn[nH]c12
InChIInChI=1S/C8H7BrN2O/c1-12-7-3-6(9)2-5-4-10-11-8(5)7/h2-4H,1H3,(H,10,11)
InChIKeyGLOTVIAEDAXCAT-UHFFFAOYSA-N
XLogP2.33
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-8-methoxy-1H-cinnolin-4-one;hydrochloride
CID 169092158
(7-methoxy-1H-indazol-5-yl)methanamine
CID 82599475
5-bromo-N,N-dimethyl-1H-indazol-7-amine
CID 150401097
5-bromo-7-ethenyl-1H-indazole
CID 135317901
4-(5-bromo-2,3-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117479828
5-bromo-7-methoxy-1,2-benzoxazole
CID 83669479
(5-bromo-7-methoxy-1H-indol-2-yl)methanamine
CID 83901061
3-(7-methoxy-1H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine
CID 59831836
6-bromo-3-[(6-bromo-8-methoxy-2-oxo-1H-quinolin-3-yl)sulfonyl]-8-methoxy-1H-quinolin-2-one
CID 66811435
7-bromo-5-(trifluoromethoxy)-1H-indazole
CID 155973936
5-bromo-4-(2-methoxyphenyl)-1H-pyrazole
CID 84707753
5-bromo-2-chloro-1,3-dimethoxybenzene
CID 22557902

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-methoxy-1H-indazole?
The IUPAC name of 5-bromo-7-methoxy-1H-indazole (CID 83669485) is 5-bromo-7-methoxy-1H-indazole.
What is the SMILES notation for 5-bromo-7-methoxy-1H-indazole?
The canonical SMILES for 5-bromo-7-methoxy-1H-indazole is COc1cc(Br)cc2cn[nH]c12.
What is the InChIKey of 5-bromo-7-methoxy-1H-indazole?
The InChIKey is GLOTVIAEDAXCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O/c1-12-7-3-6(9)2-5-4-10-11-8(5)7/h2-4H,1H3,(H,10,11).
What are the key properties of 5-bromo-7-methoxy-1H-indazole?
5-bromo-7-methoxy-1H-indazole has a molecular weight of 227.06 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-methoxy-1H-indazole is sourced from PubChem (CID 83669485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).