(7-iodo-3H-imidazo[4,5-c]pyridin-2-yl)methanol

C7H6IN3O — CID 131099118

IUPAC(7-iodo-3H-imidazo[4,5-c]pyridin-2-yl)methanol
SMILESOCc1nc2c(I)cncc2[nH]1
InChIInChI=1S/C7H6IN3O/c8-4-1-9-2-5-7(4)11-6(3-12)10-5/h1-2,12H,3H2,(H,10,11)
InChIKeySCKHWWOHVRHXQL-UHFFFAOYSA-N
MW275.05 g/mol
LogP1.05
Rot. Bonds1

About (7-iodo-3H-imidazo[4,5-c]pyridin-2-yl)methanol

(7-iodo-3H-imidazo[4,5-c]pyridin-2-yl)methanol (PubChem CID 131099118) has the molecular formula C7H6IN3O and a molecular weight of 275.05 g/mol. Its IUPAC name is (7-iodo-3H-imidazo[4,5-c]pyridin-2-yl)methanol.

Molecular Properties

Compound Name(7-iodo-3H-imidazo[4,5-c]pyridin-2-yl)methanol
PubChem CID131099118
Molecular FormulaC7H6IN3O
Molecular Weight275.05 g/mol
Exact Mass274.96
IUPAC Name(7-iodo-3H-imidazo[4,5-c]pyridin-2-yl)methanol
SMILESOCc1nc2c(I)cncc2[nH]1
InChIInChI=1S/C7H6IN3O/c8-4-1-9-2-5-7(4)11-6(3-12)10-5/h1-2,12H,3H2,(H,10,11)
InChIKeySCKHWWOHVRHXQL-UHFFFAOYSA-N
XLogP1.05
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.05
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7-iodo-3H-imidazo[4,5-c]pyridin-2-yl)methanol?
The IUPAC name of (7-iodo-3H-imidazo[4,5-c]pyridin-2-yl)methanol (CID 131099118) is (7-iodo-3H-imidazo[4,5-c]pyridin-2-yl)methanol.
What is the SMILES notation for (7-iodo-3H-imidazo[4,5-c]pyridin-2-yl)methanol?
The canonical SMILES for (7-iodo-3H-imidazo[4,5-c]pyridin-2-yl)methanol is OCc1nc2c(I)cncc2[nH]1.
What is the InChIKey of (7-iodo-3H-imidazo[4,5-c]pyridin-2-yl)methanol?
The InChIKey is SCKHWWOHVRHXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6IN3O/c8-4-1-9-2-5-7(4)11-6(3-12)10-5/h1-2,12H,3H2,(H,10,11).
What are the key properties of (7-iodo-3H-imidazo[4,5-c]pyridin-2-yl)methanol?
(7-iodo-3H-imidazo[4,5-c]pyridin-2-yl)methanol has a molecular weight of 275.05 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-iodo-3H-imidazo[4,5-c]pyridin-2-yl)methanol is sourced from PubChem (CID 131099118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).