2-[2-(difluoromethyl)-3-hydroxy-6-iodo-4-pyridinyl]acetonitrile

C8H5F2IN2O — CID 118837224

IUPAC2-[2-(difluoromethyl)-3-hydroxy-6-iodo-4-pyridinyl]acetonitrile
SMILESN#CCc1cc(I)nc(C(F)F)c1O
InChIInChI=1S/C8H5F2IN2O/c9-8(10)6-7(14)4(1-2-12)3-5(11)13-6/h3,8,14H,1H2
InChIKeyNDFIESXEYFDPAP-UHFFFAOYSA-N
MW310.04 g/mol
LogP2.40
Rot. Bonds2

About 2-[2-(difluoromethyl)-3-hydroxy-6-iodo-4-pyridinyl]acetonitrile

2-[2-(difluoromethyl)-3-hydroxy-6-iodo-4-pyridinyl]acetonitrile (PubChem CID 118837224) has the molecular formula C8H5F2IN2O and a molecular weight of 310.04 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)-3-hydroxy-6-iodo-4-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2-(difluoromethyl)-3-hydroxy-6-iodo-4-pyridinyl]acetonitrile
PubChem CID118837224
Molecular FormulaC8H5F2IN2O
Molecular Weight310.04 g/mol
Exact Mass309.94
IUPAC Name2-[2-(difluoromethyl)-3-hydroxy-6-iodo-4-pyridinyl]acetonitrile
SMILESN#CCc1cc(I)nc(C(F)F)c1O
InChIInChI=1S/C8H5F2IN2O/c9-8(10)6-7(14)4(1-2-12)3-5(11)13-6/h3,8,14H,1H2
InChIKeyNDFIESXEYFDPAP-UHFFFAOYSA-N
XLogP2.40
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.04
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-[2-(difluoromethyl)-6-iodo-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 118803852
2-[6-(difluoromethyl)-5-hydroxy-2-iodo-3-pyridinyl]acetonitrile
CID 118820324
2-[2-(difluoromethyl)-5-fluoro-6-iodo-3-pyridinyl]acetonitrile
CID 118837346
2-[6-bromo-2-(difluoromethyl)-5-iodo-3-pyridinyl]acetonitrile
CID 130068327
3-(cyanomethyl)-5-(difluoromethyl)-6-iodopyridine-2-carbonitrile
CID 130077467
2-[6-amino-5-(difluoromethyl)-2-iodo-3-pyridinyl]acetonitrile
CID 119021329
2-[5-(aminomethyl)-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetonitrile
CID 130086873
2-[2-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetonitrile
CID 118843738
2-(difluoromethyl)-3-hydroxy-6-iodopyridine-4-carboxamide
CID 118837184
2-[3-(difluoromethyl)-4,6-diiodo-2-pyridinyl]acetonitrile
CID 130100638
2-[6-(difluoromethyl)-2-fluoro-3-iodo-4-pyridinyl]acetonitrile
CID 130080144
2-(difluoromethyl)-3-fluoro-6-iodopyridine-4-carbonitrile
CID 118850770

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)-3-hydroxy-6-iodo-4-pyridinyl]acetonitrile?
The IUPAC name of 2-[2-(difluoromethyl)-3-hydroxy-6-iodo-4-pyridinyl]acetonitrile (CID 118837224) is 2-[2-(difluoromethyl)-3-hydroxy-6-iodo-4-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2-(difluoromethyl)-3-hydroxy-6-iodo-4-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2-(difluoromethyl)-3-hydroxy-6-iodo-4-pyridinyl]acetonitrile is N#CCc1cc(I)nc(C(F)F)c1O.
What is the InChIKey of 2-[2-(difluoromethyl)-3-hydroxy-6-iodo-4-pyridinyl]acetonitrile?
The InChIKey is NDFIESXEYFDPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2IN2O/c9-8(10)6-7(14)4(1-2-12)3-5(11)13-6/h3,8,14H,1H2.
What are the key properties of 2-[2-(difluoromethyl)-3-hydroxy-6-iodo-4-pyridinyl]acetonitrile?
2-[2-(difluoromethyl)-3-hydroxy-6-iodo-4-pyridinyl]acetonitrile has a molecular weight of 310.04 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)-3-hydroxy-6-iodo-4-pyridinyl]acetonitrile is sourced from PubChem (CID 118837224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).