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

C8H5F2IN2O — CID 130077512

IUPAC6-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-2-carbonitrile
SMILESN#Cc1cc(CO)c(I)c(C(F)F)n1
InChIInChI=1S/C8H5F2IN2O/c9-8(10)7-6(11)4(3-14)1-5(2-12)13-7/h1,8,14H,3H2
InChIKeyKVTVYRTUILIVRU-UHFFFAOYSA-N
MW310.04 g/mol
LogP1.99
Rot. Bonds2

About 6-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-2-carbonitrile

6-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-2-carbonitrile (PubChem CID 130077512) has the molecular formula C8H5F2IN2O and a molecular weight of 310.04 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-2-carbonitrile
PubChem CID130077512
Molecular FormulaC8H5F2IN2O
Molecular Weight310.04 g/mol
Exact Mass309.94
IUPAC Name6-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-2-carbonitrile
SMILESN#Cc1cc(CO)c(I)c(C(F)F)n1
InChIInChI=1S/C8H5F2IN2O/c9-8(10)7-6(11)4(3-14)1-5(2-12)13-7/h1,8,14H,3H2
InChIKeyKVTVYRTUILIVRU-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

4-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile
CID 130077308
4-(aminomethyl)-5-bromo-6-(difluoromethyl)pyridine-2-carbonitrile
CID 118824155
3-(difluoromethyl)-4-(hydroxymethyl)-6-iodopyridine-2-carbonitrile
CID 119003364
2-[4-(aminomethyl)-6-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118801084
methyl 2-[6-cyano-2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetate
CID 134684522
2-(difluoromethyl)-5-(hydroxymethyl)-4-iodopyridine-3-carbonitrile
CID 130077513
4-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile
CID 130096001
methyl 4-(aminomethyl)-6-cyano-2-(difluoromethyl)pyridine-3-carboxylate
CID 133107066
2-[4-(chloromethyl)-6-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 133106535
5-(bromomethyl)-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130078886
6-(aminomethyl)-2-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile
CID 118808652
5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 133107147

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-2-carbonitrile?
The IUPAC name of 6-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-2-carbonitrile (CID 130077512) is 6-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-2-carbonitrile.
What is the SMILES notation for 6-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-2-carbonitrile?
The canonical SMILES for 6-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-2-carbonitrile is N#Cc1cc(CO)c(I)c(C(F)F)n1.
What is the InChIKey of 6-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-2-carbonitrile?
The InChIKey is KVTVYRTUILIVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2IN2O/c9-8(10)7-6(11)4(3-14)1-5(2-12)13-7/h1,8,14H,3H2.
What are the key properties of 6-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-2-carbonitrile?
6-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-2-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 6-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-2-carbonitrile is sourced from PubChem (CID 130077512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).