[5-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanol

C8H8F2INO — CID 130086168

IUPAC[5-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanol
SMILESCc1cc(CO)nc(I)c1C(F)F
InChIInChI=1S/C8H8F2INO/c1-4-2-5(3-13)12-8(11)6(4)7(9)10/h2,7,13H,3H2,1H3
InChIKeyJSFNVOIVIJYNOI-UHFFFAOYSA-N
MW299.06 g/mol
LogP2.42
Rot. Bonds2

About [5-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanol

[5-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanol (PubChem CID 130086168) has the molecular formula C8H8F2INO and a molecular weight of 299.06 g/mol. Its IUPAC name is [5-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanol
PubChem CID130086168
Molecular FormulaC8H8F2INO
Molecular Weight299.06 g/mol
Exact Mass298.96
IUPAC Name[5-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanol
SMILESCc1cc(CO)nc(I)c1C(F)F
InChIInChI=1S/C8H8F2INO/c1-4-2-5(3-13)12-8(11)6(4)7(9)10/h2,7,13H,3H2,1H3
InChIKeyJSFNVOIVIJYNOI-UHFFFAOYSA-N
XLogP2.42
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.06
LogP ≤ 52.42
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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Related Compounds

[5-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanamine
CID 130085953
[4-chloro-5-(difluoromethyl)-6-iodo-2-pyridinyl]methanol
CID 118845138
[3-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanol
CID 130086190
[4-(difluoromethyl)-5-iodo-6-methyl-2-pyridinyl]methanol
CID 118800735
[6-bromo-5-(difluoromethyl)-4-iodo-2-pyridinyl]methanol
CID 119008071
4-(difluoromethyl)-6-(hydroxymethyl)-2-methylpyridin-3-ol
CID 118834562
[6-chloro-5-(difluoromethyl)-4-methyl-2-pyridinyl]methanamine
CID 130074108
[4-bromo-5-(difluoromethyl)-6-fluoro-2-pyridinyl]methanol
CID 118838629
[6-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol
CID 119022962
[6-chloro-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanol
CID 130073268
6-(bromomethyl)-3-(difluoromethyl)-4-fluoro-2-iodopyridine
CID 130080004
[5-(difluoromethyl)-6-iodo-4-methyl-3-pyridinyl]methanol
CID 130086167

Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanol?
The IUPAC name of [5-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanol (CID 130086168) is [5-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanol.
What is the SMILES notation for [5-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanol?
The canonical SMILES for [5-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanol is Cc1cc(CO)nc(I)c1C(F)F.
What is the InChIKey of [5-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanol?
The InChIKey is JSFNVOIVIJYNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2INO/c1-4-2-5(3-13)12-8(11)6(4)7(9)10/h2,7,13H,3H2,1H3.
What are the key properties of [5-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanol?
[5-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanol has a molecular weight of 299.06 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanol is sourced from PubChem (CID 130086168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).