3-iodo-6-methoxy-2-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine

C12H10IN3O2 — CID 59200635

IUPAC3-iodo-6-methoxy-2-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine
SMILESCOc1cnc2c(I)c(-c3cnn(C)c3)oc2c1
InChIInChI=1S/C12H10IN3O2/c1-16-6-7(4-15-16)12-10(13)11-9(18-12)3-8(17-2)5-14-11/h3-6H,1-2H3
InChIKeyFPQBSLROBCTRKR-UHFFFAOYSA-N
MW355.14 g/mol
LogP2.84
Rot. Bonds2

About 3-iodo-6-methoxy-2-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine

3-iodo-6-methoxy-2-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine (PubChem CID 59200635) has the molecular formula C12H10IN3O2 and a molecular weight of 355.14 g/mol. Its IUPAC name is 3-iodo-6-methoxy-2-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine.

Molecular Properties

Compound Name3-iodo-6-methoxy-2-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine
PubChem CID59200635
Molecular FormulaC12H10IN3O2
Molecular Weight355.14 g/mol
Exact Mass354.98
IUPAC Name3-iodo-6-methoxy-2-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine
SMILESCOc1cnc2c(I)c(-c3cnn(C)c3)oc2c1
InChIInChI=1S/C12H10IN3O2/c1-16-6-7(4-15-16)12-10(13)11-9(18-12)3-8(17-2)5-14-11/h3-6H,1-2H3
InChIKeyFPQBSLROBCTRKR-UHFFFAOYSA-N
XLogP2.84
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.14
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-6-methoxy-2-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine?
The IUPAC name of 3-iodo-6-methoxy-2-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine (CID 59200635) is 3-iodo-6-methoxy-2-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine.
What is the SMILES notation for 3-iodo-6-methoxy-2-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine?
The canonical SMILES for 3-iodo-6-methoxy-2-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine is COc1cnc2c(I)c(-c3cnn(C)c3)oc2c1.
What is the InChIKey of 3-iodo-6-methoxy-2-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine?
The InChIKey is FPQBSLROBCTRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10IN3O2/c1-16-6-7(4-15-16)12-10(13)11-9(18-12)3-8(17-2)5-14-11/h3-6H,1-2H3.
What are the key properties of 3-iodo-6-methoxy-2-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine?
3-iodo-6-methoxy-2-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine has a molecular weight of 355.14 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-6-methoxy-2-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine is sourced from PubChem (CID 59200635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).