7-bromo-3-ethyl-1-methylindazole

C10H11BrN2 — CID 59778768

IUPAC7-bromo-3-ethyl-1-methylindazole
SMILESCCc1nn(C)c2c(Br)cccc12
InChIInChI=1S/C10H11BrN2/c1-3-9-7-5-4-6-8(11)10(7)13(2)12-9/h4-6H,3H2,1-2H3
InChIKeyLJSAJYGKROPIPV-UHFFFAOYSA-N
MW239.12 g/mol
LogP2.90
Rot. Bonds1

About 7-bromo-3-ethyl-1-methylindazole

7-bromo-3-ethyl-1-methylindazole (PubChem CID 59778768) has the molecular formula C10H11BrN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is 7-bromo-3-ethyl-1-methylindazole.

Molecular Properties

Compound Name7-bromo-3-ethyl-1-methylindazole
PubChem CID59778768
Molecular FormulaC10H11BrN2
Molecular Weight239.12 g/mol
Exact Mass238.01
IUPAC Name7-bromo-3-ethyl-1-methylindazole
SMILESCCc1nn(C)c2c(Br)cccc12
InChIInChI=1S/C10H11BrN2/c1-3-9-7-5-4-6-8(11)10(7)13(2)12-9/h4-6H,3H2,1-2H3
InChIKeyLJSAJYGKROPIPV-UHFFFAOYSA-N
XLogP2.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-3-(fluoromethyl)-1-methylindazole
CID 84703596
4-ethyl-2-methylphthalazin-1-one
CID 58923354
3-bromo-2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]aniline
CID 81499785
ethyl 3-[(7-bromo-1-methylindazol-3-yl)-carbamoylamino]propanoate
CID 176571547
7-bromo-3-chloro-2-methylindazole
CID 68614934
7-bromo-2-methyl-N,N-dipropylindazol-3-amine
CID 21094617
2-(1,7-dimethylindazol-3-yl)acetic acid
CID 83908649
1-bromo-9-propylcarbazole
CID 141387102
3-(7-hydroxy-1-methylindazol-3-yl)propanoic acid
CID 84685431
6-(3-bromo-2-methylphenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
CID 107637224
1-(3-bromo-2-chlorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 114978090
2,7-dibromo-1-ethyl-3-methylindole
CID 117127877

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-ethyl-1-methylindazole?
The IUPAC name of 7-bromo-3-ethyl-1-methylindazole (CID 59778768) is 7-bromo-3-ethyl-1-methylindazole.
What is the SMILES notation for 7-bromo-3-ethyl-1-methylindazole?
The canonical SMILES for 7-bromo-3-ethyl-1-methylindazole is CCc1nn(C)c2c(Br)cccc12.
What is the InChIKey of 7-bromo-3-ethyl-1-methylindazole?
The InChIKey is LJSAJYGKROPIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2/c1-3-9-7-5-4-6-8(11)10(7)13(2)12-9/h4-6H,3H2,1-2H3.
What are the key properties of 7-bromo-3-ethyl-1-methylindazole?
7-bromo-3-ethyl-1-methylindazole has a molecular weight of 239.12 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-ethyl-1-methylindazole is sourced from PubChem (CID 59778768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).