1-bromo-2-methylindazol-3-one

C8H7BrN2O — CID 140854699

IUPAC1-bromo-2-methylindazol-3-one
SMILESCn1c(=O)c2ccccc2n1Br
InChIInChI=1S/C8H7BrN2O/c1-10-8(12)6-4-2-3-5-7(6)11(10)9/h2-5H,1H3
InChIKeyTZAULOIDSGCZGN-UHFFFAOYSA-N
MW227.06 g/mol
LogP1.50
Rot. Bonds

About 1-bromo-2-methylindazol-3-one

1-bromo-2-methylindazol-3-one (PubChem CID 140854699) has the molecular formula C8H7BrN2O and a molecular weight of 227.06 g/mol. Its IUPAC name is 1-bromo-2-methylindazol-3-one.

Molecular Properties

Compound Name1-bromo-2-methylindazol-3-one
PubChem CID140854699
Molecular FormulaC8H7BrN2O
Molecular Weight227.06 g/mol
Exact Mass225.97
IUPAC Name1-bromo-2-methylindazol-3-one
SMILESCn1c(=O)c2ccccc2n1Br
InChIInChI=1S/C8H7BrN2O/c1-10-8(12)6-4-2-3-5-7(6)11(10)9/h2-5H,1H3
InChIKeyTZAULOIDSGCZGN-UHFFFAOYSA-N
XLogP1.50
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dimethyl-2-selanylidenequinazolin-4-one
CID 102491232
2-methyl-1-[(E)-2-methylbut-2-enyl]indazol-3-one
CID 143152087
1-amino-3-methylquinazoline-2,4-dione
CID 14937715
7,8-dimethyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene
CID 89317326
3-bromo-1-methylquinolin-4-one
CID 23279589
1,3-ditert-butylquinazoline-2,4-dione
CID 69087292
1H-diazirino[1,2-a]indazol-7-one
CID 143419742
8-methyl-8-azapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaen-21-one
CID 167125984
3-bromo-1-methyl-4-phenylquinolin-2-one
CID 50999162
1,3-dichloroquinazoline-2,4-dione
CID 22245586
ethane;bis(9-methylcarbazole)
CID 159710949
3-chloro-1,4-dimethylquinolin-2-one
CID 15643026

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-methylindazol-3-one?
The IUPAC name of 1-bromo-2-methylindazol-3-one (CID 140854699) is 1-bromo-2-methylindazol-3-one.
What is the SMILES notation for 1-bromo-2-methylindazol-3-one?
The canonical SMILES for 1-bromo-2-methylindazol-3-one is Cn1c(=O)c2ccccc2n1Br.
What is the InChIKey of 1-bromo-2-methylindazol-3-one?
The InChIKey is TZAULOIDSGCZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O/c1-10-8(12)6-4-2-3-5-7(6)11(10)9/h2-5H,1H3.
What are the key properties of 1-bromo-2-methylindazol-3-one?
1-bromo-2-methylindazol-3-one has a molecular weight of 227.06 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-methylindazol-3-one is sourced from PubChem (CID 140854699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).