methyl 3-bromo-1-methylindazole-6-carboxylate;methyl pyridine-3-carboxylate

C17H16BrN3O4 — CID 175951142

IUPACmethyl 3-bromo-1-methylindazole-6-carboxylate;methyl pyridine-3-carboxylate
SMILESCOC(=O)c1ccc2c(Br)nn(C)c2c1.COC(=O)c1cccnc1
InChIInChI=1S/C10H9BrN2O2.C7H7NO2/c1-13-8-5-6(10(14)15-2)3-4-7(8)9(11)12-13;1-10-7(9)6-3-2-4-8-5-6/h3-5H,1-2H3;2-5H,1H3
InChIKeyALNYNVMJLXYEGM-UHFFFAOYSA-N
MW406.24 g/mol
LogP2.99
Rot. Bonds2

About methyl 3-bromo-1-methylindazole-6-carboxylate;methyl pyridine-3-carboxylate

methyl 3-bromo-1-methylindazole-6-carboxylate;methyl pyridine-3-carboxylate (PubChem CID 175951142) has the molecular formula C17H16BrN3O4 and a molecular weight of 406.24 g/mol. Its IUPAC name is methyl 3-bromo-1-methylindazole-6-carboxylate;methyl pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-bromo-1-methylindazole-6-carboxylate;methyl pyridine-3-carboxylate
PubChem CID175951142
Molecular FormulaC17H16BrN3O4
Molecular Weight406.24 g/mol
Exact Mass405.03
IUPAC Namemethyl 3-bromo-1-methylindazole-6-carboxylate;methyl pyridine-3-carboxylate
SMILESCOC(=O)c1ccc2c(Br)nn(C)c2c1.COC(=O)c1cccnc1
InChIInChI=1S/C10H9BrN2O2.C7H7NO2/c1-13-8-5-6(10(14)15-2)3-4-7(8)9(11)12-13;1-10-7(9)6-3-2-4-8-5-6/h3-5H,1-2H3;2-5H,1H3
InChIKeyALNYNVMJLXYEGM-UHFFFAOYSA-N
XLogP2.99
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.24
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-bromo-1-methylindazole-6-carboxylate;methyl pyridine-3-carboxylate 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

(111C)methyl pyridine-3-carboxylate
CID 11309537
methyl 3-(dimethylamino)-1-methylindazole-6-carboxylate
CID 156503325
CID 22254315
CID 22254315
methyl 5-methylpyrido[4,3-b]indole-7-carboxylate
CID 116986202
methyl benzoate;methyl pyridine-3-carboxylate;1-methylpyrrole
CID 161014753
methyl 3-(1,3-dioxolan-2-yl)-1-methylindazole-6-carboxylate
CID 142606640
methyl 3-bromo-1-[(4-methoxyphenyl)methyl]indazole-6-carboxylate
CID 175654005
methyl 6-bromoquinoline-2-carboxylate;methyl pyridine-3-carboxylate
CID 175951139
methyl 3-(3-ethylpentyl)-1-methylindazole-6-carboxylate
CID 19084962
N-(3-bromo-1-methylindazol-6-yl)prop-2-enamide
CID 166431642
methyl 1-bromoisoquinoline-6-carboxylate
CID 82571453
methyl 4-methoxy-3-pyridin-3-ylbenzoate
CID 46317451

Frequently Asked Questions

What is the IUPAC name of methyl 3-bromo-1-methylindazole-6-carboxylate;methyl pyridine-3-carboxylate?
The IUPAC name of methyl 3-bromo-1-methylindazole-6-carboxylate;methyl pyridine-3-carboxylate (CID 175951142) is methyl 3-bromo-1-methylindazole-6-carboxylate;methyl pyridine-3-carboxylate.
What is the SMILES notation for methyl 3-bromo-1-methylindazole-6-carboxylate;methyl pyridine-3-carboxylate?
The canonical SMILES for methyl 3-bromo-1-methylindazole-6-carboxylate;methyl pyridine-3-carboxylate is COC(=O)c1ccc2c(Br)nn(C)c2c1.COC(=O)c1cccnc1.
What is the InChIKey of methyl 3-bromo-1-methylindazole-6-carboxylate;methyl pyridine-3-carboxylate?
The InChIKey is ALNYNVMJLXYEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2.C7H7NO2/c1-13-8-5-6(10(14)15-2)3-4-7(8)9(11)12-13;1-10-7(9)6-3-2-4-8-5-6/h3-5H,1-2H3;2-5H,1H3.
What are the key properties of methyl 3-bromo-1-methylindazole-6-carboxylate;methyl pyridine-3-carboxylate?
methyl 3-bromo-1-methylindazole-6-carboxylate;methyl pyridine-3-carboxylate has a molecular weight of 406.24 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-bromo-1-methylindazole-6-carboxylate;methyl pyridine-3-carboxylate is sourced from PubChem (CID 175951142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).