6-bromo-3-(1-fluoroethyl)-1-methylindazole

C10H10BrFN2 — CID 84708995

IUPAC6-bromo-3-(1-fluoroethyl)-1-methylindazole
SMILESCC(F)c1nn(C)c2cc(Br)ccc12
InChIInChI=1S/C10H10BrFN2/c1-6(12)10-8-4-3-7(11)5-9(8)14(2)13-10/h3-6H,1-2H3
InChIKeyCLDGNSHAFAKCHM-UHFFFAOYSA-N
MW257.11 g/mol
LogP3.37
Rot. Bonds1

About 6-bromo-3-(1-fluoroethyl)-1-methylindazole

6-bromo-3-(1-fluoroethyl)-1-methylindazole (PubChem CID 84708995) has the molecular formula C10H10BrFN2 and a molecular weight of 257.11 g/mol. Its IUPAC name is 6-bromo-3-(1-fluoroethyl)-1-methylindazole.

Molecular Properties

Compound Name6-bromo-3-(1-fluoroethyl)-1-methylindazole
PubChem CID84708995
Molecular FormulaC10H10BrFN2
Molecular Weight257.11 g/mol
Exact Mass256.00
IUPAC Name6-bromo-3-(1-fluoroethyl)-1-methylindazole
SMILESCC(F)c1nn(C)c2cc(Br)ccc12
InChIInChI=1S/C10H10BrFN2/c1-6(12)10-8-4-3-7(11)5-9(8)14(2)13-10/h3-6H,1-2H3
InChIKeyCLDGNSHAFAKCHM-UHFFFAOYSA-N
XLogP3.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.11
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-dibromo-1-methylindazole
CID 76846072
3-(1-fluoroethyl)-1-methylindazole-6-carboxylic acid
CID 84687432
6-bromo-1-methylindazol-3-amine
CID 46835549
6-bromo-1,3-dimethylindazole;ethane
CID 145062136
6-bromo-3-(bromomethyl)-1-methylindazole
CID 171846635
6-bromo-1-methylindazole-3-carbaldehyde
CID 83912445
2,7-dibromo-9-methylcarbazole
CID 11851387
6-bromo-1-methyl-3-propan-2-ylindole
CID 115046928
3-(6-bromo-1-methylindazol-3-yl)prop-2-yn-1-ol
CID 121272653
6-butan-2-yl-1-methyl-3-propan-2-ylindazole
CID 174350260
3-(difluoromethyl)-1-methylindazole
CID 153487584
5-fluoro-1-methyl-3-propan-2-ylindazole
CID 118489326

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(1-fluoroethyl)-1-methylindazole?
The IUPAC name of 6-bromo-3-(1-fluoroethyl)-1-methylindazole (CID 84708995) is 6-bromo-3-(1-fluoroethyl)-1-methylindazole.
What is the SMILES notation for 6-bromo-3-(1-fluoroethyl)-1-methylindazole?
The canonical SMILES for 6-bromo-3-(1-fluoroethyl)-1-methylindazole is CC(F)c1nn(C)c2cc(Br)ccc12.
What is the InChIKey of 6-bromo-3-(1-fluoroethyl)-1-methylindazole?
The InChIKey is CLDGNSHAFAKCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2/c1-6(12)10-8-4-3-7(11)5-9(8)14(2)13-10/h3-6H,1-2H3.
What are the key properties of 6-bromo-3-(1-fluoroethyl)-1-methylindazole?
6-bromo-3-(1-fluoroethyl)-1-methylindazole has a molecular weight of 257.11 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(1-fluoroethyl)-1-methylindazole is sourced from PubChem (CID 84708995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).