3-iodo-6-methoxy-1H-pyrrolo[3,2-c]pyridine

C8H7IN2O — CID 53412708

IUPAC3-iodo-6-methoxy-1H-pyrrolo[3,2-c]pyridine
SMILESCOc1cc2[nH]cc(I)c2cn1
InChIInChI=1S/C8H7IN2O/c1-12-8-2-7-5(3-11-8)6(9)4-10-7/h2-4,10H,1H3
InChIKeyRWCIDRWMHSKBQR-UHFFFAOYSA-N
MW274.06 g/mol
LogP2.18
Rot. Bonds1

About 3-iodo-6-methoxy-1H-pyrrolo[3,2-c]pyridine

3-iodo-6-methoxy-1H-pyrrolo[3,2-c]pyridine (PubChem CID 53412708) has the molecular formula C8H7IN2O and a molecular weight of 274.06 g/mol. Its IUPAC name is 3-iodo-6-methoxy-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name3-iodo-6-methoxy-1H-pyrrolo[3,2-c]pyridine
PubChem CID53412708
Molecular FormulaC8H7IN2O
Molecular Weight274.06 g/mol
Exact Mass273.96
IUPAC Name3-iodo-6-methoxy-1H-pyrrolo[3,2-c]pyridine
SMILESCOc1cc2[nH]cc(I)c2cn1
InChIInChI=1S/C8H7IN2O/c1-12-8-2-7-5(3-11-8)6(9)4-10-7/h2-4,10H,1H3
InChIKeyRWCIDRWMHSKBQR-UHFFFAOYSA-N
XLogP2.18
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.06
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 3-iodo-6-methoxy-1H-pyrrolo[3,2-c]pyridine (CID 53412708) is 3-iodo-6-methoxy-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 3-iodo-6-methoxy-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 3-iodo-6-methoxy-1H-pyrrolo[3,2-c]pyridine is COc1cc2[nH]cc(I)c2cn1.
What is the InChIKey of 3-iodo-6-methoxy-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is RWCIDRWMHSKBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN2O/c1-12-8-2-7-5(3-11-8)6(9)4-10-7/h2-4,10H,1H3.
What are the key properties of 3-iodo-6-methoxy-1H-pyrrolo[3,2-c]pyridine?
3-iodo-6-methoxy-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 274.06 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-6-methoxy-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 53412708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).