methyl 5-iodo-6-propan-2-yloxypyridine-3-carboxylate

C10H12INO3 — CID 133059505

IUPACmethyl 5-iodo-6-propan-2-yloxypyridine-3-carboxylate
SMILESCOC(=O)c1cnc(OC(C)C)c(I)c1
InChIInChI=1S/C10H12INO3/c1-6(2)15-9-8(11)4-7(5-12-9)10(13)14-3/h4-6H,1-3H3
InChIKeyNHRBJHUCLZSOKL-UHFFFAOYSA-N
MW321.11 g/mol
LogP2.26
Rot. Bonds3

About methyl 5-iodo-6-propan-2-yloxypyridine-3-carboxylate

methyl 5-iodo-6-propan-2-yloxypyridine-3-carboxylate (PubChem CID 133059505) has the molecular formula C10H12INO3 and a molecular weight of 321.11 g/mol. Its IUPAC name is methyl 5-iodo-6-propan-2-yloxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-iodo-6-propan-2-yloxypyridine-3-carboxylate
PubChem CID133059505
Molecular FormulaC10H12INO3
Molecular Weight321.11 g/mol
Exact Mass320.99
IUPAC Namemethyl 5-iodo-6-propan-2-yloxypyridine-3-carboxylate
SMILESCOC(=O)c1cnc(OC(C)C)c(I)c1
InChIInChI=1S/C10H12INO3/c1-6(2)15-9-8(11)4-7(5-12-9)10(13)14-3/h4-6H,1-3H3
InChIKeyNHRBJHUCLZSOKL-UHFFFAOYSA-N
XLogP2.26
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.11
LogP ≤ 52.26
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 5-iodo-6-propan-2-yloxypyridine-3-carboxylate?
The IUPAC name of methyl 5-iodo-6-propan-2-yloxypyridine-3-carboxylate (CID 133059505) is methyl 5-iodo-6-propan-2-yloxypyridine-3-carboxylate.
What is the SMILES notation for methyl 5-iodo-6-propan-2-yloxypyridine-3-carboxylate?
The canonical SMILES for methyl 5-iodo-6-propan-2-yloxypyridine-3-carboxylate is COC(=O)c1cnc(OC(C)C)c(I)c1.
What is the InChIKey of methyl 5-iodo-6-propan-2-yloxypyridine-3-carboxylate?
The InChIKey is NHRBJHUCLZSOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO3/c1-6(2)15-9-8(11)4-7(5-12-9)10(13)14-3/h4-6H,1-3H3.
What are the key properties of methyl 5-iodo-6-propan-2-yloxypyridine-3-carboxylate?
methyl 5-iodo-6-propan-2-yloxypyridine-3-carboxylate has a molecular weight of 321.11 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-iodo-6-propan-2-yloxypyridine-3-carboxylate is sourced from PubChem (CID 133059505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).