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

C8H5F2IN2O — CID 130077515

IUPAC2-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-3-carbonitrile
SMILESN#Cc1c(C(F)F)ncc(I)c1CO
InChIInChI=1S/C8H5F2IN2O/c9-8(10)7-4(1-12)5(3-14)6(11)2-13-7/h2,8,14H,3H2
InChIKeyZGVYRLVYPYKBIY-UHFFFAOYSA-N
MW310.04 g/mol
LogP1.99
Rot. Bonds2

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

2-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-3-carbonitrile (PubChem CID 130077515) has the molecular formula C8H5F2IN2O and a molecular weight of 310.04 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-3-carbonitrile
PubChem CID130077515
Molecular FormulaC8H5F2IN2O
Molecular Weight310.04 g/mol
Exact Mass309.94
IUPAC Name2-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-3-carbonitrile
SMILESN#Cc1c(C(F)F)ncc(I)c1CO
InChIInChI=1S/C8H5F2IN2O/c9-8(10)7-4(1-12)5(3-14)6(11)2-13-7/h2,8,14H,3H2
InChIKeyZGVYRLVYPYKBIY-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

3-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile
CID 130077293
3-(chloromethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile
CID 130077383
2-(difluoromethyl)-5-(hydroxymethyl)-4-iodopyridine-3-carbonitrile
CID 130077513
2-(difluoromethyl)-5-iodo-4-methylpyridine-3-carbonitrile
CID 130077203
5-chloro-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile
CID 130071262
2-(difluoromethyl)-3-(hydroxymethyl)-5-methylpyridine-4-carbonitrile
CID 118822625
[2-(difluoromethyl)-5-iodo-4-methyl-3-pyridinyl]methanol
CID 118832165
5-(bromomethyl)-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile
CID 130078912
5-(difluoromethyl)-4-(hydroxymethyl)-2-iodopyridine-3-carbonitrile
CID 130077525
[2-(difluoromethyl)-5-iodo-4-methoxy-3-pyridinyl]methanol
CID 118831773
2-(difluoromethyl)-4-iodo-5-methylpyridine-3-carbonitrile
CID 130077201
4-(difluoromethyl)-2-(hydroxymethyl)-5-iodopyridine-3-carbonitrile
CID 130077521

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-3-carbonitrile?
The IUPAC name of 2-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-3-carbonitrile (CID 130077515) is 2-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-3-carbonitrile.
What is the SMILES notation for 2-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-3-carbonitrile?
The canonical SMILES for 2-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-3-carbonitrile is N#Cc1c(C(F)F)ncc(I)c1CO.
What is the InChIKey of 2-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-3-carbonitrile?
The InChIKey is ZGVYRLVYPYKBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2IN2O/c9-8(10)7-4(1-12)5(3-14)6(11)2-13-7/h2,8,14H,3H2.
What are the key properties of 2-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-3-carbonitrile?
2-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-3-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 2-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-3-carbonitrile is sourced from PubChem (CID 130077515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).