methyl 1-(4-amino-3-fluoro-5-iodo-2-pyridinyl)pyrazole-3-carboxylate

C10H8FIN4O2 — CID 166505958

IUPACmethyl 1-(4-amino-3-fluoro-5-iodo-2-pyridinyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1ccn(-c2ncc(I)c(N)c2F)n1
InChIInChI=1S/C10H8FIN4O2/c1-18-10(17)6-2-3-16(15-6)9-7(11)8(13)5(12)4-14-9/h2-4H,1H3,(H2,13,14)
InChIKeyZILJJWBLUQYECW-UHFFFAOYSA-N
MW362.10 g/mol
LogP1.38
Rot. Bonds2

About methyl 1-(4-amino-3-fluoro-5-iodo-2-pyridinyl)pyrazole-3-carboxylate

methyl 1-(4-amino-3-fluoro-5-iodo-2-pyridinyl)pyrazole-3-carboxylate (PubChem CID 166505958) has the molecular formula C10H8FIN4O2 and a molecular weight of 362.10 g/mol. Its IUPAC name is methyl 1-(4-amino-3-fluoro-5-iodo-2-pyridinyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-amino-3-fluoro-5-iodo-2-pyridinyl)pyrazole-3-carboxylate
PubChem CID166505958
Molecular FormulaC10H8FIN4O2
Molecular Weight362.10 g/mol
Exact Mass361.97
IUPAC Namemethyl 1-(4-amino-3-fluoro-5-iodo-2-pyridinyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1ccn(-c2ncc(I)c(N)c2F)n1
InChIInChI=1S/C10H8FIN4O2/c1-18-10(17)6-2-3-16(15-6)9-7(11)8(13)5(12)4-14-9/h2-4H,1H3,(H2,13,14)
InChIKeyZILJJWBLUQYECW-UHFFFAOYSA-N
XLogP1.38
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.10
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 1-(4-amino-3-fluoro-5-iodo-2-pyridinyl)pyrazole-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

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-amino-3-fluoro-5-iodo-2-pyridinyl)pyrazole-3-carboxylate?
The IUPAC name of methyl 1-(4-amino-3-fluoro-5-iodo-2-pyridinyl)pyrazole-3-carboxylate (CID 166505958) is methyl 1-(4-amino-3-fluoro-5-iodo-2-pyridinyl)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1-(4-amino-3-fluoro-5-iodo-2-pyridinyl)pyrazole-3-carboxylate?
The canonical SMILES for methyl 1-(4-amino-3-fluoro-5-iodo-2-pyridinyl)pyrazole-3-carboxylate is COC(=O)c1ccn(-c2ncc(I)c(N)c2F)n1.
What is the InChIKey of methyl 1-(4-amino-3-fluoro-5-iodo-2-pyridinyl)pyrazole-3-carboxylate?
The InChIKey is ZILJJWBLUQYECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FIN4O2/c1-18-10(17)6-2-3-16(15-6)9-7(11)8(13)5(12)4-14-9/h2-4H,1H3,(H2,13,14).
What are the key properties of methyl 1-(4-amino-3-fluoro-5-iodo-2-pyridinyl)pyrazole-3-carboxylate?
methyl 1-(4-amino-3-fluoro-5-iodo-2-pyridinyl)pyrazole-3-carboxylate has a molecular weight of 362.10 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-amino-3-fluoro-5-iodo-2-pyridinyl)pyrazole-3-carboxylate is sourced from PubChem (CID 166505958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).