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

C7H5F3INO — CID 130080189

IUPAC[5-(difluoromethyl)-4-fluoro-3-iodo-2-pyridinyl]methanol
SMILESOCc1ncc(C(F)F)c(F)c1I
InChIInChI=1S/C7H5F3INO/c8-5-3(7(9)10)1-12-4(2-13)6(5)11/h1,7,13H,2H2
InChIKeyMEYRLGADQXPNEE-UHFFFAOYSA-N
MW303.02 g/mol
LogP2.26
Rot. Bonds2

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

[5-(difluoromethyl)-4-fluoro-3-iodo-2-pyridinyl]methanol (PubChem CID 130080189) has the molecular formula C7H5F3INO and a molecular weight of 303.02 g/mol. Its IUPAC name is [5-(difluoromethyl)-4-fluoro-3-iodo-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(difluoromethyl)-4-fluoro-3-iodo-2-pyridinyl]methanol
PubChem CID130080189
Molecular FormulaC7H5F3INO
Molecular Weight303.02 g/mol
Exact Mass302.94
IUPAC Name[5-(difluoromethyl)-4-fluoro-3-iodo-2-pyridinyl]methanol
SMILESOCc1ncc(C(F)F)c(F)c1I
InChIInChI=1S/C7H5F3INO/c8-5-3(7(9)10)1-12-4(2-13)6(5)11/h1,7,13H,2H2
InChIKeyMEYRLGADQXPNEE-UHFFFAOYSA-N
XLogP2.26
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.02
LogP ≤ 52.26
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

5-(difluoromethyl)-2-(hydroxymethyl)-3-iodopyridine-4-carbonitrile
CID 130077533
[5-(difluoromethyl)-4-fluoro-2-iodo-3-pyridinyl]methanol
CID 130080191
[5-(difluoromethyl)-4-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134670100
[4-(difluoromethyl)-3-iodo-5-methoxy-2-pyridinyl]methanol
CID 130085739
[2-(bromomethyl)-5-(difluoromethyl)-3-fluoro-4-pyridinyl]methanol
CID 130081823
5-(difluoromethyl)-3-fluoro-2,4-diiodopyridine
CID 130100477
[5-(difluoromethyl)-3,4-diiodo-2-pyridinyl]methanamine
CID 118848069
[3-(difluoromethyl)-5-fluoro-6-iodo-2-pyridinyl]methanol
CID 130080196
[4-bromo-5-(difluoromethyl)-3-fluoro-2-pyridinyl]methanamine
CID 118803013
5-(difluoromethyl)-4-fluoro-6-(hydroxymethyl)pyridin-3-ol
CID 130079587
[4-(aminomethyl)-3-(difluoromethyl)-5-iodo-2-pyridinyl]methanol
CID 118824248
[3-(difluoromethyl)-4-fluoro-5-methyl-2-pyridinyl]methanol
CID 130081112

Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-4-fluoro-3-iodo-2-pyridinyl]methanol?
The IUPAC name of [5-(difluoromethyl)-4-fluoro-3-iodo-2-pyridinyl]methanol (CID 130080189) is [5-(difluoromethyl)-4-fluoro-3-iodo-2-pyridinyl]methanol.
What is the SMILES notation for [5-(difluoromethyl)-4-fluoro-3-iodo-2-pyridinyl]methanol?
The canonical SMILES for [5-(difluoromethyl)-4-fluoro-3-iodo-2-pyridinyl]methanol is OCc1ncc(C(F)F)c(F)c1I.
What is the InChIKey of [5-(difluoromethyl)-4-fluoro-3-iodo-2-pyridinyl]methanol?
The InChIKey is MEYRLGADQXPNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3INO/c8-5-3(7(9)10)1-12-4(2-13)6(5)11/h1,7,13H,2H2.
What are the key properties of [5-(difluoromethyl)-4-fluoro-3-iodo-2-pyridinyl]methanol?
[5-(difluoromethyl)-4-fluoro-3-iodo-2-pyridinyl]methanol has a molecular weight of 303.02 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethyl)-4-fluoro-3-iodo-2-pyridinyl]methanol is sourced from PubChem (CID 130080189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).