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

C7H5F3INO — CID 130080191

IUPAC[5-(difluoromethyl)-4-fluoro-2-iodo-3-pyridinyl]methanol
SMILESOCc1c(I)ncc(C(F)F)c1F
InChIInChI=1S/C7H5F3INO/c8-5-3(6(9)10)1-12-7(11)4(5)2-13/h1,6,13H,2H2
InChIKeySNPJQUIECFSSLD-UHFFFAOYSA-N
MW303.02 g/mol
LogP2.26
Rot. Bonds2

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

[5-(difluoromethyl)-4-fluoro-2-iodo-3-pyridinyl]methanol (PubChem CID 130080191) has the molecular formula C7H5F3INO and a molecular weight of 303.02 g/mol. Its IUPAC name is [5-(difluoromethyl)-4-fluoro-2-iodo-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(difluoromethyl)-4-fluoro-2-iodo-3-pyridinyl]methanol
PubChem CID130080191
Molecular FormulaC7H5F3INO
Molecular Weight303.02 g/mol
Exact Mass302.94
IUPAC Name[5-(difluoromethyl)-4-fluoro-2-iodo-3-pyridinyl]methanol
SMILESOCc1c(I)ncc(C(F)F)c1F
InChIInChI=1S/C7H5F3INO/c8-5-3(6(9)10)1-12-7(11)4(5)2-13/h1,6,13H,2H2
InChIKeySNPJQUIECFSSLD-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-(bromomethyl)-5-(difluoromethyl)-4-fluoro-2-iodopyridine
CID 130080023
[5-(difluoromethyl)-4-fluoro-3-iodo-2-pyridinyl]methanol
CID 130080189
5-(difluoromethyl)-4-(hydroxymethyl)-2-iodopyridine-3-carbonitrile
CID 130077525
5-(difluoromethyl)-3-fluoro-2,4-diiodopyridine
CID 130100477
[5-(difluoromethyl)-2,4-diiodo-3-pyridinyl]methanamine
CID 130100567
5-(difluoromethyl)-4-fluoro-2-iodopyridine-3-carbonitrile
CID 130075927
[2-(bromomethyl)-5-(difluoromethyl)-3-fluoro-4-pyridinyl]methanol
CID 130081823
[3-(difluoromethyl)-5-fluoro-6-iodo-2-pyridinyl]methanol
CID 130080196
[2-amino-5-(difluoromethyl)-3-methoxy-4-pyridinyl]methanol
CID 119022056
[4-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]methanol
CID 130074319
3-(bromomethyl)-5-(difluoromethyl)-2-iodopyridine-4-carboxylic acid
CID 130087232
[5-(difluoromethyl)-4-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134670100

Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-4-fluoro-2-iodo-3-pyridinyl]methanol?
The IUPAC name of [5-(difluoromethyl)-4-fluoro-2-iodo-3-pyridinyl]methanol (CID 130080191) is [5-(difluoromethyl)-4-fluoro-2-iodo-3-pyridinyl]methanol.
What is the SMILES notation for [5-(difluoromethyl)-4-fluoro-2-iodo-3-pyridinyl]methanol?
The canonical SMILES for [5-(difluoromethyl)-4-fluoro-2-iodo-3-pyridinyl]methanol is OCc1c(I)ncc(C(F)F)c1F.
What is the InChIKey of [5-(difluoromethyl)-4-fluoro-2-iodo-3-pyridinyl]methanol?
The InChIKey is SNPJQUIECFSSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3INO/c8-5-3(6(9)10)1-12-7(11)4(5)2-13/h1,6,13H,2H2.
What are the key properties of [5-(difluoromethyl)-4-fluoro-2-iodo-3-pyridinyl]methanol?
[5-(difluoromethyl)-4-fluoro-2-iodo-3-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-2-iodo-3-pyridinyl]methanol is sourced from PubChem (CID 130080191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).