5-bromo-4-chloro-2-methylindazole

C8H6BrClN2 — CID 146307905

IUPAC5-bromo-4-chloro-2-methylindazole
SMILESCn1cc2c(Cl)c(Br)ccc2n1
InChIInChI=1S/C8H6BrClN2/c1-12-4-5-7(11-12)3-2-6(9)8(5)10/h2-4H,1H3
InChIKeySJEWBDKBNBCUSQ-UHFFFAOYSA-N
MW245.51 g/mol
LogP2.99
Rot. Bonds

About 5-bromo-4-chloro-2-methylindazole

5-bromo-4-chloro-2-methylindazole (PubChem CID 146307905) has the molecular formula C8H6BrClN2 and a molecular weight of 245.51 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-methylindazole.

Molecular Properties

Compound Name5-bromo-4-chloro-2-methylindazole
PubChem CID146307905
Molecular FormulaC8H6BrClN2
Molecular Weight245.51 g/mol
Exact Mass243.94
IUPAC Name5-bromo-4-chloro-2-methylindazole
SMILESCn1cc2c(Cl)c(Br)ccc2n1
InChIInChI=1S/C8H6BrClN2/c1-12-4-5-7(11-12)3-2-6(9)8(5)10/h2-4H,1H3
InChIKeySJEWBDKBNBCUSQ-UHFFFAOYSA-N
XLogP2.99
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.51
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 21094580
CID 22558624
CID 22558624
CID 22558725
CID 22558725
CID 22558977
CID 22558977
CID 44119457
CID 44119457
CID 44119458
CID 44119458
CID 44119467
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CID 44119469
CID 44119469

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-methylindazole?
The IUPAC name of 5-bromo-4-chloro-2-methylindazole (CID 146307905) is 5-bromo-4-chloro-2-methylindazole.
What is the SMILES notation for 5-bromo-4-chloro-2-methylindazole?
The canonical SMILES for 5-bromo-4-chloro-2-methylindazole is Cn1cc2c(Cl)c(Br)ccc2n1.
What is the InChIKey of 5-bromo-4-chloro-2-methylindazole?
The InChIKey is SJEWBDKBNBCUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClN2/c1-12-4-5-7(11-12)3-2-6(9)8(5)10/h2-4H,1H3.
What are the key properties of 5-bromo-4-chloro-2-methylindazole?
5-bromo-4-chloro-2-methylindazole has a molecular weight of 245.51 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-methylindazole is sourced from PubChem (CID 146307905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).