ethyl 4-amino-6-fluoroindazole-1-carboxylate

C10H10FN3O2 — CID 69190066

IUPACethyl 4-amino-6-fluoroindazole-1-carboxylate
SMILESCCOC(=O)n1ncc2c(N)cc(F)cc21
InChIInChI=1S/C10H10FN3O2/c1-2-16-10(15)14-9-4-6(11)3-8(12)7(9)5-13-14/h3-5H,2,12H2,1H3
InChIKeyPSMSEPCJTSNSET-UHFFFAOYSA-N
MW223.21 g/mol
LogP1.76
Rot. Bonds1

About ethyl 4-amino-6-fluoroindazole-1-carboxylate

ethyl 4-amino-6-fluoroindazole-1-carboxylate (PubChem CID 69190066) has the molecular formula C10H10FN3O2 and a molecular weight of 223.21 g/mol. Its IUPAC name is ethyl 4-amino-6-fluoroindazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-6-fluoroindazole-1-carboxylate
PubChem CID69190066
Molecular FormulaC10H10FN3O2
Molecular Weight223.21 g/mol
Exact Mass223.08
IUPAC Nameethyl 4-amino-6-fluoroindazole-1-carboxylate
SMILESCCOC(=O)n1ncc2c(N)cc(F)cc21
InChIInChI=1S/C10H10FN3O2/c1-2-16-10(15)14-9-4-6(11)3-8(12)7(9)5-13-14/h3-5H,2,12H2,1H3
InChIKeyPSMSEPCJTSNSET-UHFFFAOYSA-N
XLogP1.76
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 4-amino-6-fluoroindazole-1-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

CID 840433
CID 840433
CID 49831022
CID 49831022
CID 275547
CID 275547
CID 12285829
CID 12285829
CID 153838
CID 153838
CID 19800556
CID 19800556
CID 308115
CID 308115
CID 125114
CID 125114
CID 12285823
CID 12285823
CID 18525862
CID 18525862
CID 11063932
CID 11063932
CID 10798276
CID 10798276

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-6-fluoroindazole-1-carboxylate?
The IUPAC name of ethyl 4-amino-6-fluoroindazole-1-carboxylate (CID 69190066) is ethyl 4-amino-6-fluoroindazole-1-carboxylate.
What is the SMILES notation for ethyl 4-amino-6-fluoroindazole-1-carboxylate?
The canonical SMILES for ethyl 4-amino-6-fluoroindazole-1-carboxylate is CCOC(=O)n1ncc2c(N)cc(F)cc21.
What is the InChIKey of ethyl 4-amino-6-fluoroindazole-1-carboxylate?
The InChIKey is PSMSEPCJTSNSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2/c1-2-16-10(15)14-9-4-6(11)3-8(12)7(9)5-13-14/h3-5H,2,12H2,1H3.
What are the key properties of ethyl 4-amino-6-fluoroindazole-1-carboxylate?
ethyl 4-amino-6-fluoroindazole-1-carboxylate has a molecular weight of 223.21 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-6-fluoroindazole-1-carboxylate is sourced from PubChem (CID 69190066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).