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

C6H5ClINO — CID 58001734

IUPAC(5-chloro-6-iodo-3-pyridinyl)methanol
SMILESOCc1cnc(I)c(Cl)c1
InChIInChI=1S/C6H5ClINO/c7-5-1-4(3-10)2-9-6(5)8/h1-2,10H,3H2
InChIKeyMVWHXUWLRUYPAW-UHFFFAOYSA-N
MW269.47 g/mol
LogP1.83
Rot. Bonds1

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

(5-chloro-6-iodo-3-pyridinyl)methanol (PubChem CID 58001734) has the molecular formula C6H5ClINO and a molecular weight of 269.47 g/mol. Its IUPAC name is (5-chloro-6-iodo-3-pyridinyl)methanol.

Molecular Properties

Compound Name(5-chloro-6-iodo-3-pyridinyl)methanol
PubChem CID58001734
Molecular FormulaC6H5ClINO
Molecular Weight269.47 g/mol
Exact Mass268.91
IUPAC Name(5-chloro-6-iodo-3-pyridinyl)methanol
SMILESOCc1cnc(I)c(Cl)c1
InChIInChI=1S/C6H5ClINO/c7-5-1-4(3-10)2-9-6(5)8/h1-2,10H,3H2
InChIKeyMVWHXUWLRUYPAW-UHFFFAOYSA-N
XLogP1.83
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 51.83
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 (5-chloro-6-iodo-3-pyridinyl)methanol?
The IUPAC name of (5-chloro-6-iodo-3-pyridinyl)methanol (CID 58001734) is (5-chloro-6-iodo-3-pyridinyl)methanol.
What is the SMILES notation for (5-chloro-6-iodo-3-pyridinyl)methanol?
The canonical SMILES for (5-chloro-6-iodo-3-pyridinyl)methanol is OCc1cnc(I)c(Cl)c1.
What is the InChIKey of (5-chloro-6-iodo-3-pyridinyl)methanol?
The InChIKey is MVWHXUWLRUYPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClINO/c7-5-1-4(3-10)2-9-6(5)8/h1-2,10H,3H2.
What are the key properties of (5-chloro-6-iodo-3-pyridinyl)methanol?
(5-chloro-6-iodo-3-pyridinyl)methanol has a molecular weight of 269.47 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-6-iodo-3-pyridinyl)methanol is sourced from PubChem (CID 58001734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).