4-bromo-5-chloro-1,7-dimethylindazole

C9H8BrClN2 — CID 168927566

IUPAC4-bromo-5-chloro-1,7-dimethylindazole
SMILESCc1cc(Cl)c(Br)c2cnn(C)c12
InChIInChI=1S/C9H8BrClN2/c1-5-3-7(11)8(10)6-4-12-13(2)9(5)6/h3-4H,1-2H3
InChIKeyZWVCKQPXONIGBH-UHFFFAOYSA-N
MW259.53 g/mol
LogP3.30
Rot. Bonds

About 4-bromo-5-chloro-1,7-dimethylindazole

4-bromo-5-chloro-1,7-dimethylindazole (PubChem CID 168927566) has the molecular formula C9H8BrClN2 and a molecular weight of 259.53 g/mol. Its IUPAC name is 4-bromo-5-chloro-1,7-dimethylindazole.

Molecular Properties

Compound Name4-bromo-5-chloro-1,7-dimethylindazole
PubChem CID168927566
Molecular FormulaC9H8BrClN2
Molecular Weight259.53 g/mol
Exact Mass257.96
IUPAC Name4-bromo-5-chloro-1,7-dimethylindazole
SMILESCc1cc(Cl)c(Br)c2cnn(C)c12
InChIInChI=1S/C9H8BrClN2/c1-5-3-7(11)8(10)6-4-12-13(2)9(5)6/h3-4H,1-2H3
InChIKeyZWVCKQPXONIGBH-UHFFFAOYSA-N
XLogP3.30
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.53
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-5-chloro-1-cyclopropyl-7-methylindazole;ethane
CID 168927546
5-chloro-1,7-dimethylindazole
CID 121266447
7-bromo-1,4-dimethylindazole
CID 131422474
4-chloro-1,7-dimethylindazole;ethane;2-hydroxyacetamide
CID 145080487
4-chloro-7-fluoro-1-methylindazole
CID 171662404
1,4,7-trimethylpyrazolo[5,4-c]pyridine
CID 153487725
4-chloro-1,7-dimethylindazole;ethane;2,2,2-trifluoroacetamide
CID 144693962
methyl 4-bromo-5-chloro-6-fluoro-1-methylindazole-7-carboxylate
CID 155684518
(1,7-dimethylindazol-4-yl)methanol
CID 155733013
5-chloro-1,6-dimethylindazole
CID 84657674
4,6-dichloro-1-methylpyrazolo[5,4-b]pyridine
CID 58083235
1,4-dimethylindazol-7-ol
CID 105431858

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chloro-1,7-dimethylindazole?
The IUPAC name of 4-bromo-5-chloro-1,7-dimethylindazole (CID 168927566) is 4-bromo-5-chloro-1,7-dimethylindazole.
What is the SMILES notation for 4-bromo-5-chloro-1,7-dimethylindazole?
The canonical SMILES for 4-bromo-5-chloro-1,7-dimethylindazole is Cc1cc(Cl)c(Br)c2cnn(C)c12.
What is the InChIKey of 4-bromo-5-chloro-1,7-dimethylindazole?
The InChIKey is ZWVCKQPXONIGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClN2/c1-5-3-7(11)8(10)6-4-12-13(2)9(5)6/h3-4H,1-2H3.
What are the key properties of 4-bromo-5-chloro-1,7-dimethylindazole?
4-bromo-5-chloro-1,7-dimethylindazole has a molecular weight of 259.53 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-chloro-1,7-dimethylindazole is sourced from PubChem (CID 168927566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).