methyl 5-chloro-6-fluoro-1-iodophosphanylindazole-4-carboxylate

C9H6ClFIN2O2P — CID 170283489

IUPACmethyl 5-chloro-6-fluoro-1-iodophosphanylindazole-4-carboxylate
SMILESCOC(=O)c1c(Cl)c(F)cc2c1cnn2PI
InChIInChI=1S/C9H6ClFIN2O2P/c1-16-9(15)7-4-3-13-14(17-12)6(4)2-5(11)8(7)10/h2-3,17H,1H3
InChIKeyGXEPBZCERHCHPO-UHFFFAOYSA-N
MW386.49 g/mol
LogP3.41
Rot. Bonds2

About methyl 5-chloro-6-fluoro-1-iodophosphanylindazole-4-carboxylate

methyl 5-chloro-6-fluoro-1-iodophosphanylindazole-4-carboxylate (PubChem CID 170283489) has the molecular formula C9H6ClFIN2O2P and a molecular weight of 386.49 g/mol. Its IUPAC name is methyl 5-chloro-6-fluoro-1-iodophosphanylindazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-6-fluoro-1-iodophosphanylindazole-4-carboxylate
PubChem CID170283489
Molecular FormulaC9H6ClFIN2O2P
Molecular Weight386.49 g/mol
Exact Mass385.89
IUPAC Namemethyl 5-chloro-6-fluoro-1-iodophosphanylindazole-4-carboxylate
SMILESCOC(=O)c1c(Cl)c(F)cc2c1cnn2PI
InChIInChI=1S/C9H6ClFIN2O2P/c1-16-9(15)7-4-3-13-14(17-12)6(4)2-5(11)8(7)10/h2-3,17H,1H3
InChIKeyGXEPBZCERHCHPO-UHFFFAOYSA-N
XLogP3.41
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-6-fluoro-1-iodophosphanylindazole-4-carboxylate?
The IUPAC name of methyl 5-chloro-6-fluoro-1-iodophosphanylindazole-4-carboxylate (CID 170283489) is methyl 5-chloro-6-fluoro-1-iodophosphanylindazole-4-carboxylate.
What is the SMILES notation for methyl 5-chloro-6-fluoro-1-iodophosphanylindazole-4-carboxylate?
The canonical SMILES for methyl 5-chloro-6-fluoro-1-iodophosphanylindazole-4-carboxylate is COC(=O)c1c(Cl)c(F)cc2c1cnn2PI.
What is the InChIKey of methyl 5-chloro-6-fluoro-1-iodophosphanylindazole-4-carboxylate?
The InChIKey is GXEPBZCERHCHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFIN2O2P/c1-16-9(15)7-4-3-13-14(17-12)6(4)2-5(11)8(7)10/h2-3,17H,1H3.
What are the key properties of methyl 5-chloro-6-fluoro-1-iodophosphanylindazole-4-carboxylate?
methyl 5-chloro-6-fluoro-1-iodophosphanylindazole-4-carboxylate has a molecular weight of 386.49 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-6-fluoro-1-iodophosphanylindazole-4-carboxylate is sourced from PubChem (CID 170283489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).