(6-iodo-5-methyl-3-pyridinyl)methanol

C7H8INO — CID 54084953

IUPAC(6-iodo-5-methyl-3-pyridinyl)methanol
SMILESCc1cc(CO)cnc1I
InChIInChI=1S/C7H8INO/c1-5-2-6(4-10)3-9-7(5)8/h2-3,10H,4H2,1H3
InChIKeyMPUHCKSOVRQMLG-UHFFFAOYSA-N
MW249.05 g/mol
LogP1.49
Rot. Bonds1

About (6-iodo-5-methyl-3-pyridinyl)methanol

(6-iodo-5-methyl-3-pyridinyl)methanol (PubChem CID 54084953) has the molecular formula C7H8INO and a molecular weight of 249.05 g/mol. Its IUPAC name is (6-iodo-5-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(6-iodo-5-methyl-3-pyridinyl)methanol
PubChem CID54084953
Molecular FormulaC7H8INO
Molecular Weight249.05 g/mol
Exact Mass248.97
IUPAC Name(6-iodo-5-methyl-3-pyridinyl)methanol
SMILESCc1cc(CO)cnc1I
InChIInChI=1S/C7H8INO/c1-5-2-6(4-10)3-9-7(5)8/h2-3,10H,4H2,1H3
InChIKeyMPUHCKSOVRQMLG-UHFFFAOYSA-N
XLogP1.49
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.05
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-iodo-5-methyl-3-pyridinyl)methanol?
The IUPAC name of (6-iodo-5-methyl-3-pyridinyl)methanol (CID 54084953) is (6-iodo-5-methyl-3-pyridinyl)methanol.
What is the SMILES notation for (6-iodo-5-methyl-3-pyridinyl)methanol?
The canonical SMILES for (6-iodo-5-methyl-3-pyridinyl)methanol is Cc1cc(CO)cnc1I.
What is the InChIKey of (6-iodo-5-methyl-3-pyridinyl)methanol?
The InChIKey is MPUHCKSOVRQMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8INO/c1-5-2-6(4-10)3-9-7(5)8/h2-3,10H,4H2,1H3.
What are the key properties of (6-iodo-5-methyl-3-pyridinyl)methanol?
(6-iodo-5-methyl-3-pyridinyl)methanol has a molecular weight of 249.05 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-iodo-5-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 54084953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).