methyl 4-(iodomethyl)furo[2,3-b]pyridine-2-carboxylate

C10H8INO3 — CID 89337937

IUPACmethyl 4-(iodomethyl)furo[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(CI)ccnc2o1
InChIInChI=1S/C10H8INO3/c1-14-10(13)8-4-7-6(5-11)2-3-12-9(7)15-8/h2-4H,5H2,1H3
InChIKeyUQOSCOLUCAELOD-UHFFFAOYSA-N
MW317.08 g/mol
LogP2.55
Rot. Bonds2

About methyl 4-(iodomethyl)furo[2,3-b]pyridine-2-carboxylate

methyl 4-(iodomethyl)furo[2,3-b]pyridine-2-carboxylate (PubChem CID 89337937) has the molecular formula C10H8INO3 and a molecular weight of 317.08 g/mol. Its IUPAC name is methyl 4-(iodomethyl)furo[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(iodomethyl)furo[2,3-b]pyridine-2-carboxylate
PubChem CID89337937
Molecular FormulaC10H8INO3
Molecular Weight317.08 g/mol
Exact Mass316.95
IUPAC Namemethyl 4-(iodomethyl)furo[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(CI)ccnc2o1
InChIInChI=1S/C10H8INO3/c1-14-10(13)8-4-7-6(5-11)2-3-12-9(7)15-8/h2-4H,5H2,1H3
InChIKeyUQOSCOLUCAELOD-UHFFFAOYSA-N
XLogP2.55
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.08
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethylfuro[2,3-b]pyridine-2-carboxylic acid
CID 82376010
methyl 4-(3-hydroxypropoxy)-1-benzofuran-2-carboxylate
CID 142029288
methyl 5-aminofuro[2,3-b]pyridine-2-carboxylate
CID 45356738
methyl 4,7-dichlorofuro[2,3-d]pyridazine-2-carboxylate
CID 12564369
methyl 4,5,6,7-tetraphenyl-1-benzofuran-2-carboxylate
CID 162398645
methyl 4-methyl-1-benzofuran-2-carboxylate
CID 165463716
4-(4-methylphenyl)furo[2,3-b]pyridine-2-carboxylic acid
CID 82376004
methyl 8-oxopyrano[3,4-b]pyridine-6-carboxylate
CID 122714828
methyl 4-(chloromethyl)-5-methylfuran-2-carboxylate
CID 914782
methyl 5-pyrimidin-4-ylfuran-2-carboxylate
CID 118477544
methyl 2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]pyridine-4-carboxylate
CID 155916138
methyl 4-bromo-5-fluoro-1-benzofuran-2-carboxylate
CID 131521886

Frequently Asked Questions

What is the IUPAC name of methyl 4-(iodomethyl)furo[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 4-(iodomethyl)furo[2,3-b]pyridine-2-carboxylate (CID 89337937) is methyl 4-(iodomethyl)furo[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(iodomethyl)furo[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-(iodomethyl)furo[2,3-b]pyridine-2-carboxylate is COC(=O)c1cc2c(CI)ccnc2o1.
What is the InChIKey of methyl 4-(iodomethyl)furo[2,3-b]pyridine-2-carboxylate?
The InChIKey is UQOSCOLUCAELOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8INO3/c1-14-10(13)8-4-7-6(5-11)2-3-12-9(7)15-8/h2-4H,5H2,1H3.
What are the key properties of methyl 4-(iodomethyl)furo[2,3-b]pyridine-2-carboxylate?
methyl 4-(iodomethyl)furo[2,3-b]pyridine-2-carboxylate has a molecular weight of 317.08 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(iodomethyl)furo[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 89337937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).