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

C8H5F2IN2O — CID 119003364

IUPAC3-(difluoromethyl)-4-(hydroxymethyl)-6-iodopyridine-2-carbonitrile
SMILESN#Cc1nc(I)cc(CO)c1C(F)F
InChIInChI=1S/C8H5F2IN2O/c9-8(10)7-4(3-14)1-6(11)13-5(7)2-12/h1,8,14H,3H2
InChIKeyHWODCUVWYPZCIG-UHFFFAOYSA-N
MW310.04 g/mol
LogP1.99
Rot. Bonds2

About 3-(difluoromethyl)-4-(hydroxymethyl)-6-iodopyridine-2-carbonitrile

3-(difluoromethyl)-4-(hydroxymethyl)-6-iodopyridine-2-carbonitrile (PubChem CID 119003364) has the molecular formula C8H5F2IN2O and a molecular weight of 310.04 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-(hydroxymethyl)-6-iodopyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(difluoromethyl)-4-(hydroxymethyl)-6-iodopyridine-2-carbonitrile
PubChem CID119003364
Molecular FormulaC8H5F2IN2O
Molecular Weight310.04 g/mol
Exact Mass309.94
IUPAC Name3-(difluoromethyl)-4-(hydroxymethyl)-6-iodopyridine-2-carbonitrile
SMILESN#Cc1nc(I)cc(CO)c1C(F)F
InChIInChI=1S/C8H5F2IN2O/c9-8(10)7-4(3-14)1-6(11)13-5(7)2-12/h1,8,14H,3H2
InChIKeyHWODCUVWYPZCIG-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-2-carbonitrile
CID 130077512
4-(bromomethyl)-6-chloro-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130071160
2-[2-cyano-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetic acid
CID 119000555
2-[6-cyano-5-(difluoromethyl)-4-iodo-2-pyridinyl]acetic acid
CID 118999551
5-(difluoromethyl)-6-fluoro-3-(hydroxymethyl)pyridine-2-carbonitrile
CID 130076174
2-[2-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetic acid
CID 119010158
methyl 2-[2-cyano-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 134675744
6-(chloromethyl)-3-(difluoromethyl)-2-(hydroxymethyl)pyridine-4-carbonitrile
CID 130079080
6-(difluoromethyl)-3-(hydroxymethyl)-5-methoxypyridine-2-carbonitrile
CID 119001977
2-[2-(difluoromethyl)-3-hydroxy-6-iodo-4-pyridinyl]acetonitrile
CID 118837224
3-(cyanomethyl)-5-(difluoromethyl)-6-iodopyridine-2-carbonitrile
CID 130077467
6-(chloromethyl)-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile
CID 130078267

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-(hydroxymethyl)-6-iodopyridine-2-carbonitrile?
The IUPAC name of 3-(difluoromethyl)-4-(hydroxymethyl)-6-iodopyridine-2-carbonitrile (CID 119003364) is 3-(difluoromethyl)-4-(hydroxymethyl)-6-iodopyridine-2-carbonitrile.
What is the SMILES notation for 3-(difluoromethyl)-4-(hydroxymethyl)-6-iodopyridine-2-carbonitrile?
The canonical SMILES for 3-(difluoromethyl)-4-(hydroxymethyl)-6-iodopyridine-2-carbonitrile is N#Cc1nc(I)cc(CO)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-4-(hydroxymethyl)-6-iodopyridine-2-carbonitrile?
The InChIKey is HWODCUVWYPZCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2IN2O/c9-8(10)7-4(3-14)1-6(11)13-5(7)2-12/h1,8,14H,3H2.
What are the key properties of 3-(difluoromethyl)-4-(hydroxymethyl)-6-iodopyridine-2-carbonitrile?
3-(difluoromethyl)-4-(hydroxymethyl)-6-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 3-(difluoromethyl)-4-(hydroxymethyl)-6-iodopyridine-2-carbonitrile is sourced from PubChem (CID 119003364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).