(4-iodo-3-pyridinyl)methanol

C6H6INO — CID 119092620

IUPAC(4-iodo-3-pyridinyl)methanol
SMILESOCc1cnccc1I
InChIInChI=1S/C6H6INO/c7-6-1-2-8-3-5(6)4-9/h1-3,9H,4H2
InChIKeyNBOQDLKPKTXHCM-UHFFFAOYSA-N
MW235.02 g/mol
LogP1.18
Rot. Bonds1

About (4-iodo-3-pyridinyl)methanol

(4-iodo-3-pyridinyl)methanol (PubChem CID 119092620) has the molecular formula C6H6INO and a molecular weight of 235.02 g/mol. Its IUPAC name is (4-iodo-3-pyridinyl)methanol.

Molecular Properties

Compound Name(4-iodo-3-pyridinyl)methanol
PubChem CID119092620
Molecular FormulaC6H6INO
Molecular Weight235.02 g/mol
Exact Mass234.95
IUPAC Name(4-iodo-3-pyridinyl)methanol
SMILESOCc1cnccc1I
InChIInChI=1S/C6H6INO/c7-6-1-2-8-3-5(6)4-9/h1-3,9H,4H2
InChIKeyNBOQDLKPKTXHCM-UHFFFAOYSA-N
XLogP1.18
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.02
LogP ≤ 51.18
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 (4-iodo-3-pyridinyl)methanol?
The IUPAC name of (4-iodo-3-pyridinyl)methanol (CID 119092620) is (4-iodo-3-pyridinyl)methanol.
What is the SMILES notation for (4-iodo-3-pyridinyl)methanol?
The canonical SMILES for (4-iodo-3-pyridinyl)methanol is OCc1cnccc1I.
What is the InChIKey of (4-iodo-3-pyridinyl)methanol?
The InChIKey is NBOQDLKPKTXHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6INO/c7-6-1-2-8-3-5(6)4-9/h1-3,9H,4H2.
What are the key properties of (4-iodo-3-pyridinyl)methanol?
(4-iodo-3-pyridinyl)methanol has a molecular weight of 235.02 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodo-3-pyridinyl)methanol is sourced from PubChem (CID 119092620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).