methyl 3-iodo-1-methylpyrrolo[3,2-c]pyridine-6-carboxylate

C10H9IN2O2 — CID 154725458

IUPACmethyl 3-iodo-1-methylpyrrolo[3,2-c]pyridine-6-carboxylate
SMILESCOC(=O)c1cc2c(cn1)c(I)cn2C
InChIInChI=1S/C10H9IN2O2/c1-13-5-7(11)6-4-12-8(3-9(6)13)10(14)15-2/h3-5H,1-2H3
InChIKeyMXNGVMYQCVTEKH-UHFFFAOYSA-N
MW316.10 g/mol
LogP1.96
Rot. Bonds1

About methyl 3-iodo-1-methylpyrrolo[3,2-c]pyridine-6-carboxylate

methyl 3-iodo-1-methylpyrrolo[3,2-c]pyridine-6-carboxylate (PubChem CID 154725458) has the molecular formula C10H9IN2O2 and a molecular weight of 316.10 g/mol. Its IUPAC name is methyl 3-iodo-1-methylpyrrolo[3,2-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-iodo-1-methylpyrrolo[3,2-c]pyridine-6-carboxylate
PubChem CID154725458
Molecular FormulaC10H9IN2O2
Molecular Weight316.10 g/mol
Exact Mass315.97
IUPAC Namemethyl 3-iodo-1-methylpyrrolo[3,2-c]pyridine-6-carboxylate
SMILESCOC(=O)c1cc2c(cn1)c(I)cn2C
InChIInChI=1S/C10H9IN2O2/c1-13-5-7(11)6-4-12-8(3-9(6)13)10(14)15-2/h3-5H,1-2H3
InChIKeyMXNGVMYQCVTEKH-UHFFFAOYSA-N
XLogP1.96
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.10
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-iodo-1-methylpyrrolo[3,2-c]pyridine-6-carboxylate?
The IUPAC name of methyl 3-iodo-1-methylpyrrolo[3,2-c]pyridine-6-carboxylate (CID 154725458) is methyl 3-iodo-1-methylpyrrolo[3,2-c]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-iodo-1-methylpyrrolo[3,2-c]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-iodo-1-methylpyrrolo[3,2-c]pyridine-6-carboxylate is COC(=O)c1cc2c(cn1)c(I)cn2C.
What is the InChIKey of methyl 3-iodo-1-methylpyrrolo[3,2-c]pyridine-6-carboxylate?
The InChIKey is MXNGVMYQCVTEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2O2/c1-13-5-7(11)6-4-12-8(3-9(6)13)10(14)15-2/h3-5H,1-2H3.
What are the key properties of methyl 3-iodo-1-methylpyrrolo[3,2-c]pyridine-6-carboxylate?
methyl 3-iodo-1-methylpyrrolo[3,2-c]pyridine-6-carboxylate has a molecular weight of 316.10 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-iodo-1-methylpyrrolo[3,2-c]pyridine-6-carboxylate is sourced from PubChem (CID 154725458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).