6-iodo-2-methyl-1,2-dihydropyridin-3-ol

C6H8INO — CID 86341503

IUPAC6-iodo-2-methyl-1,2-dihydropyridin-3-ol
SMILESCC1NC(I)=CC=C1O
InChIInChI=1S/C6H8INO/c1-4-5(9)2-3-6(7)8-4/h2-4,8-9H,1H3
InChIKeyDUWDHLVUBJAWFA-UHFFFAOYSA-N
MW237.04 g/mol
LogP1.70
Rot. Bonds

About 6-iodo-2-methyl-1,2-dihydropyridin-3-ol

6-iodo-2-methyl-1,2-dihydropyridin-3-ol (PubChem CID 86341503) has the molecular formula C6H8INO and a molecular weight of 237.04 g/mol. Its IUPAC name is 6-iodo-2-methyl-1,2-dihydropyridin-3-ol.

Molecular Properties

Compound Name6-iodo-2-methyl-1,2-dihydropyridin-3-ol
PubChem CID86341503
Molecular FormulaC6H8INO
Molecular Weight237.04 g/mol
Exact Mass236.97
IUPAC Name6-iodo-2-methyl-1,2-dihydropyridin-3-ol
SMILESCC1NC(I)=CC=C1O
InChIInChI=1S/C6H8INO/c1-4-5(9)2-3-6(7)8-4/h2-4,8-9H,1H3
InChIKeyDUWDHLVUBJAWFA-UHFFFAOYSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.04
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-2-methyl-1,2-dihydropyridin-3-ol?
The IUPAC name of 6-iodo-2-methyl-1,2-dihydropyridin-3-ol (CID 86341503) is 6-iodo-2-methyl-1,2-dihydropyridin-3-ol.
What is the SMILES notation for 6-iodo-2-methyl-1,2-dihydropyridin-3-ol?
The canonical SMILES for 6-iodo-2-methyl-1,2-dihydropyridin-3-ol is CC1NC(I)=CC=C1O.
What is the InChIKey of 6-iodo-2-methyl-1,2-dihydropyridin-3-ol?
The InChIKey is DUWDHLVUBJAWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8INO/c1-4-5(9)2-3-6(7)8-4/h2-4,8-9H,1H3.
What are the key properties of 6-iodo-2-methyl-1,2-dihydropyridin-3-ol?
6-iodo-2-methyl-1,2-dihydropyridin-3-ol has a molecular weight of 237.04 g/mol, XLogP of 1.70, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-2-methyl-1,2-dihydropyridin-3-ol is sourced from PubChem (CID 86341503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).