methyl 6-amino-2-(difluoromethyl)-5-iodoindazole-7-carboxylate

C10H8F2IN3O2 — CID 177042778

IUPACmethyl 6-amino-2-(difluoromethyl)-5-iodoindazole-7-carboxylate
SMILESCOC(=O)c1c(N)c(I)cc2cn(C(F)F)nc12
InChIInChI=1S/C10H8F2IN3O2/c1-18-9(17)6-7(14)5(13)2-4-3-16(10(11)12)15-8(4)6/h2-3,10H,14H2,1H3
InChIKeyBQYJIMLCNBFBGS-UHFFFAOYSA-N
MW367.09 g/mol
LogP2.40
Rot. Bonds2

About methyl 6-amino-2-(difluoromethyl)-5-iodoindazole-7-carboxylate

methyl 6-amino-2-(difluoromethyl)-5-iodoindazole-7-carboxylate (PubChem CID 177042778) has the molecular formula C10H8F2IN3O2 and a molecular weight of 367.09 g/mol. Its IUPAC name is methyl 6-amino-2-(difluoromethyl)-5-iodoindazole-7-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-2-(difluoromethyl)-5-iodoindazole-7-carboxylate
PubChem CID177042778
Molecular FormulaC10H8F2IN3O2
Molecular Weight367.09 g/mol
Exact Mass366.96
IUPAC Namemethyl 6-amino-2-(difluoromethyl)-5-iodoindazole-7-carboxylate
SMILESCOC(=O)c1c(N)c(I)cc2cn(C(F)F)nc12
InChIInChI=1S/C10H8F2IN3O2/c1-18-9(17)6-7(14)5(13)2-4-3-16(10(11)12)15-8(4)6/h2-3,10H,14H2,1H3
InChIKeyBQYJIMLCNBFBGS-UHFFFAOYSA-N
XLogP2.40
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.09
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze methyl 6-amino-2-(difluoromethyl)-5-iodoindazole-7-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

2-(difluoromethyl)-7-fluoroindazole-5-carboxylic acid
CID 164911076
methyl 6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylate
CID 130105551
methyl 6-chloro-2-(difluoromethyl)-4-iodopyridine-3-carboxylate
CID 130073398
methyl 2-(difluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134659257
methyl 2-amino-6-chloro-3-iodobenzoate
CID 126738254
methyl 2,6-diamino-4-(difluoromethyl)pyridine-3-carboxylate
CID 134669150
methyl 2-amino-4,6-diiodobenzoate
CID 131028131
methyl 2-(difluoromethyl)-6-iodo-4-methylpyridine-3-carboxylate
CID 130086278
methyl 6-amino-4-(difluoromethyl)-5-iodopyridine-2-carboxylate
CID 130105555
methyl 4-cyano-2-(difluoromethyl)-6-iodopyridine-3-carboxylate
CID 130077676
methyl 4-amino-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 130103675
methyl 2-amino-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate
CID 130103649

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-2-(difluoromethyl)-5-iodoindazole-7-carboxylate?
The IUPAC name of methyl 6-amino-2-(difluoromethyl)-5-iodoindazole-7-carboxylate (CID 177042778) is methyl 6-amino-2-(difluoromethyl)-5-iodoindazole-7-carboxylate.
What is the SMILES notation for methyl 6-amino-2-(difluoromethyl)-5-iodoindazole-7-carboxylate?
The canonical SMILES for methyl 6-amino-2-(difluoromethyl)-5-iodoindazole-7-carboxylate is COC(=O)c1c(N)c(I)cc2cn(C(F)F)nc12.
What is the InChIKey of methyl 6-amino-2-(difluoromethyl)-5-iodoindazole-7-carboxylate?
The InChIKey is BQYJIMLCNBFBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2IN3O2/c1-18-9(17)6-7(14)5(13)2-4-3-16(10(11)12)15-8(4)6/h2-3,10H,14H2,1H3.
What are the key properties of methyl 6-amino-2-(difluoromethyl)-5-iodoindazole-7-carboxylate?
methyl 6-amino-2-(difluoromethyl)-5-iodoindazole-7-carboxylate has a molecular weight of 367.09 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-2-(difluoromethyl)-5-iodoindazole-7-carboxylate is sourced from PubChem (CID 177042778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).