5-(difluoromethyl)-2-(hydroxymethyl)-3-iodopyridine-4-carbonitrile

C8H5F2IN2O — CID 130077533

IUPAC5-(difluoromethyl)-2-(hydroxymethyl)-3-iodopyridine-4-carbonitrile
SMILESN#Cc1c(C(F)F)cnc(CO)c1I
InChIInChI=1S/C8H5F2IN2O/c9-8(10)5-2-13-6(3-14)7(11)4(5)1-12/h2,8,14H,3H2
InChIKeyFTIAPUJJIGDYHW-UHFFFAOYSA-N
MW310.04 g/mol
LogP1.99
Rot. Bonds2

About 5-(difluoromethyl)-2-(hydroxymethyl)-3-iodopyridine-4-carbonitrile

5-(difluoromethyl)-2-(hydroxymethyl)-3-iodopyridine-4-carbonitrile (PubChem CID 130077533) has the molecular formula C8H5F2IN2O and a molecular weight of 310.04 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-(hydroxymethyl)-3-iodopyridine-4-carbonitrile.

Molecular Properties

Compound Name5-(difluoromethyl)-2-(hydroxymethyl)-3-iodopyridine-4-carbonitrile
PubChem CID130077533
Molecular FormulaC8H5F2IN2O
Molecular Weight310.04 g/mol
Exact Mass309.94
IUPAC Name5-(difluoromethyl)-2-(hydroxymethyl)-3-iodopyridine-4-carbonitrile
SMILESN#Cc1c(C(F)F)cnc(CO)c1I
InChIInChI=1S/C8H5F2IN2O/c9-8(10)5-2-13-6(3-14)7(11)4(5)1-12/h2,8,14H,3H2
InChIKeyFTIAPUJJIGDYHW-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyanomethyl)-5-(difluoromethyl)-3-iodopyridine-4-carbonitrile
CID 130077493
[5-(difluoromethyl)-4-fluoro-3-iodo-2-pyridinyl]methanol
CID 130080189
4-(difluoromethyl)-2-(hydroxymethyl)-5-iodopyridine-3-carbonitrile
CID 130077521
5-(difluoromethyl)-4-(hydroxymethyl)-2-iodopyridine-3-carbonitrile
CID 130077525
2-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-3-carbonitrile
CID 130077319
2-(difluoromethyl)-5-(hydroxymethyl)-4-iodopyridine-3-carbonitrile
CID 130077513
5-(difluoromethyl)-4-fluoro-2-iodopyridine-3-carbonitrile
CID 130075927
2-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 130076122
3-bromo-5-(difluoromethyl)-2-iodopyridine-4-carbonitrile
CID 130108638
3-amino-5-(difluoromethyl)-2-iodopyridine-4-carbonitrile
CID 130103257
2-(cyanomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carbonitrile
CID 118816708
5-(bromomethyl)-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile
CID 130078916

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-(hydroxymethyl)-3-iodopyridine-4-carbonitrile?
The IUPAC name of 5-(difluoromethyl)-2-(hydroxymethyl)-3-iodopyridine-4-carbonitrile (CID 130077533) is 5-(difluoromethyl)-2-(hydroxymethyl)-3-iodopyridine-4-carbonitrile.
What is the SMILES notation for 5-(difluoromethyl)-2-(hydroxymethyl)-3-iodopyridine-4-carbonitrile?
The canonical SMILES for 5-(difluoromethyl)-2-(hydroxymethyl)-3-iodopyridine-4-carbonitrile is N#Cc1c(C(F)F)cnc(CO)c1I.
What is the InChIKey of 5-(difluoromethyl)-2-(hydroxymethyl)-3-iodopyridine-4-carbonitrile?
The InChIKey is FTIAPUJJIGDYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2IN2O/c9-8(10)5-2-13-6(3-14)7(11)4(5)1-12/h2,8,14H,3H2.
What are the key properties of 5-(difluoromethyl)-2-(hydroxymethyl)-3-iodopyridine-4-carbonitrile?
5-(difluoromethyl)-2-(hydroxymethyl)-3-iodopyridine-4-carbonitrile has a molecular weight of 310.04 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-(hydroxymethyl)-3-iodopyridine-4-carbonitrile is sourced from PubChem (CID 130077533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).