4-(chloromethyl)-6-(difluoromethyl)-5-iodopyridin-3-ol

C7H5ClF2INO — CID 130082698

IUPAC4-(chloromethyl)-6-(difluoromethyl)-5-iodopyridin-3-ol
SMILESOc1cnc(C(F)F)c(I)c1CCl
InChIInChI=1S/C7H5ClF2INO/c8-1-3-4(13)2-12-6(5(3)11)7(9)10/h2,7,13H,1H2
InChIKeyMOQIQJSEDHRJKH-UHFFFAOYSA-N
MW319.48 g/mol
LogP3.07
Rot. Bonds2

About 4-(chloromethyl)-6-(difluoromethyl)-5-iodopyridin-3-ol

4-(chloromethyl)-6-(difluoromethyl)-5-iodopyridin-3-ol (PubChem CID 130082698) has the molecular formula C7H5ClF2INO and a molecular weight of 319.48 g/mol. Its IUPAC name is 4-(chloromethyl)-6-(difluoromethyl)-5-iodopyridin-3-ol.

Molecular Properties

Compound Name4-(chloromethyl)-6-(difluoromethyl)-5-iodopyridin-3-ol
PubChem CID130082698
Molecular FormulaC7H5ClF2INO
Molecular Weight319.48 g/mol
Exact Mass318.91
IUPAC Name4-(chloromethyl)-6-(difluoromethyl)-5-iodopyridin-3-ol
SMILESOc1cnc(C(F)F)c(I)c1CCl
InChIInChI=1S/C7H5ClF2INO/c8-1-3-4(13)2-12-6(5(3)11)7(9)10/h2,7,13H,1H2
InChIKeyMOQIQJSEDHRJKH-UHFFFAOYSA-N
XLogP3.07
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.48
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-(difluoromethyl)-4,5-diiodopyridin-3-ol
CID 118843088
4-(chloromethyl)-2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridine
CID 130087396
4-amino-6-(difluoromethyl)-5-iodopyridin-3-ol
CID 118823512
methyl 4-(chloromethyl)-6-(difluoromethyl)-5-iodopyridine-3-carboxylate
CID 130087629
4-(chloromethyl)-2-(difluoromethyl)-3-iodo-5-nitropyridine
CID 130086614
6-bromo-4-(chloromethyl)-5-(difluoromethyl)pyridin-3-ol
CID 119007028
3-(chloromethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile
CID 130077383
2-[3-chloro-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetonitrile
CID 130072557
6-(difluoromethyl)-5-fluoro-4-(hydroxymethyl)pyridin-3-ol
CID 130079568
3-chloro-5-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine
CID 130073182
3-(chloromethyl)-2-(difluoromethyl)-5-iodopyridine-4-carboxylic acid
CID 130087556
5-(chloromethyl)-2-(difluoromethyl)-3-iodopyridine-4-carbaldehyde
CID 130087542

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-6-(difluoromethyl)-5-iodopyridin-3-ol?
The IUPAC name of 4-(chloromethyl)-6-(difluoromethyl)-5-iodopyridin-3-ol (CID 130082698) is 4-(chloromethyl)-6-(difluoromethyl)-5-iodopyridin-3-ol.
What is the SMILES notation for 4-(chloromethyl)-6-(difluoromethyl)-5-iodopyridin-3-ol?
The canonical SMILES for 4-(chloromethyl)-6-(difluoromethyl)-5-iodopyridin-3-ol is Oc1cnc(C(F)F)c(I)c1CCl.
What is the InChIKey of 4-(chloromethyl)-6-(difluoromethyl)-5-iodopyridin-3-ol?
The InChIKey is MOQIQJSEDHRJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2INO/c8-1-3-4(13)2-12-6(5(3)11)7(9)10/h2,7,13H,1H2.
What are the key properties of 4-(chloromethyl)-6-(difluoromethyl)-5-iodopyridin-3-ol?
4-(chloromethyl)-6-(difluoromethyl)-5-iodopyridin-3-ol has a molecular weight of 319.48 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-6-(difluoromethyl)-5-iodopyridin-3-ol is sourced from PubChem (CID 130082698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).