4-bromo-6-hydroxy-1-methylindazole-3-carbonitrile

C9H6BrN3O — CID 155296242

IUPAC4-bromo-6-hydroxy-1-methylindazole-3-carbonitrile
SMILESCn1nc(C#N)c2c(Br)cc(O)cc21
InChIInChI=1S/C9H6BrN3O/c1-13-8-3-5(14)2-6(10)9(8)7(4-11)12-13/h2-3,14H,1H3
InChIKeyUTCBMNXMLROLPI-UHFFFAOYSA-N
MW252.07 g/mol
LogP1.91
Rot. Bonds

About 4-bromo-6-hydroxy-1-methylindazole-3-carbonitrile

4-bromo-6-hydroxy-1-methylindazole-3-carbonitrile (PubChem CID 155296242) has the molecular formula C9H6BrN3O and a molecular weight of 252.07 g/mol. Its IUPAC name is 4-bromo-6-hydroxy-1-methylindazole-3-carbonitrile.

Molecular Properties

Compound Name4-bromo-6-hydroxy-1-methylindazole-3-carbonitrile
PubChem CID155296242
Molecular FormulaC9H6BrN3O
Molecular Weight252.07 g/mol
Exact Mass250.97
IUPAC Name4-bromo-6-hydroxy-1-methylindazole-3-carbonitrile
SMILESCn1nc(C#N)c2c(Br)cc(O)cc21
InChIInChI=1S/C9H6BrN3O/c1-13-8-3-5(14)2-6(10)9(8)7(4-11)12-13/h2-3,14H,1H3
InChIKeyUTCBMNXMLROLPI-UHFFFAOYSA-N
XLogP1.91
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.07
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-6-hydroxy-1-methylindazole-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(hydroxymethyl)-1-methylindazole-3-carbonitrile
CID 163230634
3-bromo-2-cyano-5-hydroxybenzoic acid
CID 121227769
2-bromo-6-fluoro-4-hydroxybenzonitrile
CID 119017796
5-chloro-1-methylpyrazolo[3,4-c]pyridine-3-carbonitrile
CID 170700378
4-bromo-1-methyl-5-propan-2-ylpyrazole-3-carbonitrile
CID 116858721
5,6-dibromo-2-methylindazole-3-carbonitrile;ethane
CID 170759913
4,6-dibromo-5-hydroxy-1,2-dimethylindole-3-carbonitrile
CID 15683954
5-bromo-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile
CID 146313850
1,4,5-trimethylpyrazole-3-carbonitrile
CID 82651109
ethane;1,4,5-trimethylpyrazole-3-carbonitrile
CID 177367250
6-hydroxy-1-[[[6-hydroxy-1-[2-(6-hydroxy-1-methylindazol-3-yl)ethyl]indazol-3-yl]amino]methyl]indazole-3-carbonitrile
CID 174248433
3-iodo-1-methylindazol-6-ol
CID 136948963

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-hydroxy-1-methylindazole-3-carbonitrile?
The IUPAC name of 4-bromo-6-hydroxy-1-methylindazole-3-carbonitrile (CID 155296242) is 4-bromo-6-hydroxy-1-methylindazole-3-carbonitrile.
What is the SMILES notation for 4-bromo-6-hydroxy-1-methylindazole-3-carbonitrile?
The canonical SMILES for 4-bromo-6-hydroxy-1-methylindazole-3-carbonitrile is Cn1nc(C#N)c2c(Br)cc(O)cc21.
What is the InChIKey of 4-bromo-6-hydroxy-1-methylindazole-3-carbonitrile?
The InChIKey is UTCBMNXMLROLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3O/c1-13-8-3-5(14)2-6(10)9(8)7(4-11)12-13/h2-3,14H,1H3.
What are the key properties of 4-bromo-6-hydroxy-1-methylindazole-3-carbonitrile?
4-bromo-6-hydroxy-1-methylindazole-3-carbonitrile has a molecular weight of 252.07 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-hydroxy-1-methylindazole-3-carbonitrile is sourced from PubChem (CID 155296242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).