[2-(difluoromethyl)-5-iodo-4-methyl-3-pyridinyl]methanol

C8H8F2INO — CID 118832165

IUPAC[2-(difluoromethyl)-5-iodo-4-methyl-3-pyridinyl]methanol
SMILESCc1c(I)cnc(C(F)F)c1CO
InChIInChI=1S/C8H8F2INO/c1-4-5(3-13)7(8(9)10)12-2-6(4)11/h2,8,13H,3H2,1H3
InChIKeyJCYWFAGXYBCHIC-UHFFFAOYSA-N
MW299.06 g/mol
LogP2.42
Rot. Bonds2

About [2-(difluoromethyl)-5-iodo-4-methyl-3-pyridinyl]methanol

[2-(difluoromethyl)-5-iodo-4-methyl-3-pyridinyl]methanol (PubChem CID 118832165) has the molecular formula C8H8F2INO and a molecular weight of 299.06 g/mol. Its IUPAC name is [2-(difluoromethyl)-5-iodo-4-methyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(difluoromethyl)-5-iodo-4-methyl-3-pyridinyl]methanol
PubChem CID118832165
Molecular FormulaC8H8F2INO
Molecular Weight299.06 g/mol
Exact Mass298.96
IUPAC Name[2-(difluoromethyl)-5-iodo-4-methyl-3-pyridinyl]methanol
SMILESCc1c(I)cnc(C(F)F)c1CO
InChIInChI=1S/C8H8F2INO/c1-4-5(3-13)7(8(9)10)12-2-6(4)11/h2,8,13H,3H2,1H3
InChIKeyJCYWFAGXYBCHIC-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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[2-(difluoromethyl)-5-iodo-4-methoxy-3-pyridinyl]methanol
CID 118831773
2-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-3-carbonitrile
CID 130077515
2-(difluoromethyl)-3-(hydroxymethyl)-5-methylpyridine-4-carbonitrile
CID 118822625
[4-(bromomethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol
CID 130090067
[5-chloro-2-(difluoromethyl)-3-methyl-4-pyridinyl]methanol
CID 130074320
[2-(difluoromethyl)-5-methyl-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 118826518
2-(difluoromethyl)-5-iodo-4-methylpyridine-3-carbonitrile
CID 130077203
[2-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118815229
3-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile
CID 130077293
3-(chloromethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile
CID 130077383
2-(difluoromethyl)-3-iodo-4,5-dimethylpyridine
CID 130101179
[4,5-diamino-2-(difluoromethyl)-3-pyridinyl]methanol
CID 118818389

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)-5-iodo-4-methyl-3-pyridinyl]methanol?
The IUPAC name of [2-(difluoromethyl)-5-iodo-4-methyl-3-pyridinyl]methanol (CID 118832165) is [2-(difluoromethyl)-5-iodo-4-methyl-3-pyridinyl]methanol.
What is the SMILES notation for [2-(difluoromethyl)-5-iodo-4-methyl-3-pyridinyl]methanol?
The canonical SMILES for [2-(difluoromethyl)-5-iodo-4-methyl-3-pyridinyl]methanol is Cc1c(I)cnc(C(F)F)c1CO.
What is the InChIKey of [2-(difluoromethyl)-5-iodo-4-methyl-3-pyridinyl]methanol?
The InChIKey is JCYWFAGXYBCHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2INO/c1-4-5(3-13)7(8(9)10)12-2-6(4)11/h2,8,13H,3H2,1H3.
What are the key properties of [2-(difluoromethyl)-5-iodo-4-methyl-3-pyridinyl]methanol?
[2-(difluoromethyl)-5-iodo-4-methyl-3-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 [2-(difluoromethyl)-5-iodo-4-methyl-3-pyridinyl]methanol is sourced from PubChem (CID 118832165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).