3-(cyanomethyl)-5-(difluoromethyl)-6-iodopyridine-2-carbonitrile

C9H4F2IN3 — CID 130077467

IUPAC3-(cyanomethyl)-5-(difluoromethyl)-6-iodopyridine-2-carbonitrile
SMILESN#CCc1cc(C(F)F)c(I)nc1C#N
InChIInChI=1S/C9H4F2IN3/c10-8(11)6-3-5(1-2-13)7(4-14)15-9(6)12/h3,8H,1H2
InChIKeyVGJKINFYHMPQKN-UHFFFAOYSA-N
MW319.05 g/mol
LogP2.56
Rot. Bonds2

About 3-(cyanomethyl)-5-(difluoromethyl)-6-iodopyridine-2-carbonitrile

3-(cyanomethyl)-5-(difluoromethyl)-6-iodopyridine-2-carbonitrile (PubChem CID 130077467) has the molecular formula C9H4F2IN3 and a molecular weight of 319.05 g/mol. Its IUPAC name is 3-(cyanomethyl)-5-(difluoromethyl)-6-iodopyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(cyanomethyl)-5-(difluoromethyl)-6-iodopyridine-2-carbonitrile
PubChem CID130077467
Molecular FormulaC9H4F2IN3
Molecular Weight319.05 g/mol
Exact Mass318.94
IUPAC Name3-(cyanomethyl)-5-(difluoromethyl)-6-iodopyridine-2-carbonitrile
SMILESN#CCc1cc(C(F)F)c(I)nc1C#N
InChIInChI=1S/C9H4F2IN3/c10-8(11)6-3-5(1-2-13)7(4-14)15-9(6)12/h3,8H,1H2
InChIKeyVGJKINFYHMPQKN-UHFFFAOYSA-N
XLogP2.56
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.05
LogP ≤ 52.56
H-Bond Donors ≤ 50
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-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetic acid
CID 119010158
3-(cyanomethyl)-5-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 134675594
3-(cyanomethyl)-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile
CID 134685939
methyl 2-[2-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 134675477
ethyl 2-[2-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 134685014
2-[6-amino-5-(difluoromethyl)-2-iodo-3-pyridinyl]acetonitrile
CID 119021329
5-(difluoromethyl)-3-formyl-6-iodopyridine-2-carbonitrile
CID 130077549
2-[2-(difluoromethyl)-5-fluoro-6-iodo-3-pyridinyl]acetonitrile
CID 118837346
2-[2-cyano-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetic acid
CID 119000555
6-cyano-5-(difluoromethyl)-2-iodopyridine-3-carboxamide
CID 119006178
5-(difluoromethyl)-6-fluoro-3-(hydroxymethyl)pyridine-2-carbonitrile
CID 130076174
2-[6-(difluoromethyl)-5-hydroxy-2-iodo-3-pyridinyl]acetonitrile
CID 118820324

Frequently Asked Questions

What is the IUPAC name of 3-(cyanomethyl)-5-(difluoromethyl)-6-iodopyridine-2-carbonitrile?
The IUPAC name of 3-(cyanomethyl)-5-(difluoromethyl)-6-iodopyridine-2-carbonitrile (CID 130077467) is 3-(cyanomethyl)-5-(difluoromethyl)-6-iodopyridine-2-carbonitrile.
What is the SMILES notation for 3-(cyanomethyl)-5-(difluoromethyl)-6-iodopyridine-2-carbonitrile?
The canonical SMILES for 3-(cyanomethyl)-5-(difluoromethyl)-6-iodopyridine-2-carbonitrile is N#CCc1cc(C(F)F)c(I)nc1C#N.
What is the InChIKey of 3-(cyanomethyl)-5-(difluoromethyl)-6-iodopyridine-2-carbonitrile?
The InChIKey is VGJKINFYHMPQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F2IN3/c10-8(11)6-3-5(1-2-13)7(4-14)15-9(6)12/h3,8H,1H2.
What are the key properties of 3-(cyanomethyl)-5-(difluoromethyl)-6-iodopyridine-2-carbonitrile?
3-(cyanomethyl)-5-(difluoromethyl)-6-iodopyridine-2-carbonitrile has a molecular weight of 319.05 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyanomethyl)-5-(difluoromethyl)-6-iodopyridine-2-carbonitrile is sourced from PubChem (CID 130077467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).