3-bromo-1-ethyl-4-methoxyindazole

C10H11BrN2O — CID 84729293

IUPAC3-bromo-1-ethyl-4-methoxyindazole
SMILESCCn1nc(Br)c2c(OC)cccc21
InChIInChI=1S/C10H11BrN2O/c1-3-13-7-5-4-6-8(14-2)9(7)10(11)12-13/h4-6H,3H2,1-2H3
InChIKeyFTNWWYZFQUQHLP-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.83
Rot. Bonds2

About 3-bromo-1-ethyl-4-methoxyindazole

3-bromo-1-ethyl-4-methoxyindazole (PubChem CID 84729293) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 3-bromo-1-ethyl-4-methoxyindazole.

Molecular Properties

Compound Name3-bromo-1-ethyl-4-methoxyindazole
PubChem CID84729293
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name3-bromo-1-ethyl-4-methoxyindazole
SMILESCCn1nc(Br)c2c(OC)cccc21
InChIInChI=1S/C10H11BrN2O/c1-3-13-7-5-4-6-8(14-2)9(7)10(11)12-13/h4-6H,3H2,1-2H3
InChIKeyFTNWWYZFQUQHLP-UHFFFAOYSA-N
XLogP2.83
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxy-3-methylindazol-1-yl)acetic acid
CID 84685422
1-ethyl-5-methoxy-3,1-benzoxazine-2,4-dione
CID 141490009
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxyindazol-3-amine
CID 58054511
3-bromo-1-[(1-ethylpyrazol-3-yl)methyl]-4-nitroindazole
CID 67261156
2-(1-ethyl-4-methoxyindol-3-yl)acetaldehyde
CID 117195026
5-(2,6-dimethoxyphenoxy)-1-ethyl-3-methylpyrazol-4-amine
CID 66013664
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methoxyindole
CID 83165952
3-bromo-1-cyclopropyl-4-methoxyindole
CID 115049434
1-bromo-3-(2-methoxyphenyl)imidazo[1,5-a]pyridin-5-ol
CID 117250766
(1,3-diethylpyrazol-5-yl)-(2,6-dimethoxyphenyl)methanamine
CID 105188707
4-bromo-1,5-dimethoxyisoquinoline
CID 84712002
1-bromo-3-methoxy-2-methylbenzene
CID 18505255

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-ethyl-4-methoxyindazole?
The IUPAC name of 3-bromo-1-ethyl-4-methoxyindazole (CID 84729293) is 3-bromo-1-ethyl-4-methoxyindazole.
What is the SMILES notation for 3-bromo-1-ethyl-4-methoxyindazole?
The canonical SMILES for 3-bromo-1-ethyl-4-methoxyindazole is CCn1nc(Br)c2c(OC)cccc21.
What is the InChIKey of 3-bromo-1-ethyl-4-methoxyindazole?
The InChIKey is FTNWWYZFQUQHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-3-13-7-5-4-6-8(14-2)9(7)10(11)12-13/h4-6H,3H2,1-2H3.
What are the key properties of 3-bromo-1-ethyl-4-methoxyindazole?
3-bromo-1-ethyl-4-methoxyindazole has a molecular weight of 255.11 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-ethyl-4-methoxyindazole is sourced from PubChem (CID 84729293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).