5-(difluoromethyl)-6-iodo-2-nitropyridine-3-carbonitrile

C7H2F2IN3O2 — CID 130077265

IUPAC5-(difluoromethyl)-6-iodo-2-nitropyridine-3-carbonitrile
SMILESN#Cc1cc(C(F)F)c(I)nc1[N+](=O)[O-]
InChIInChI=1S/C7H2F2IN3O2/c8-5(9)4-1-3(2-11)7(13(14)15)12-6(4)10/h1,5H
InChIKeyUGRXFACRQJFUHL-UHFFFAOYSA-N
MW325.01 g/mol
LogP2.40
Rot. Bonds2

About 5-(difluoromethyl)-6-iodo-2-nitropyridine-3-carbonitrile

5-(difluoromethyl)-6-iodo-2-nitropyridine-3-carbonitrile (PubChem CID 130077265) has the molecular formula C7H2F2IN3O2 and a molecular weight of 325.01 g/mol. Its IUPAC name is 5-(difluoromethyl)-6-iodo-2-nitropyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(difluoromethyl)-6-iodo-2-nitropyridine-3-carbonitrile
PubChem CID130077265
Molecular FormulaC7H2F2IN3O2
Molecular Weight325.01 g/mol
Exact Mass324.92
IUPAC Name5-(difluoromethyl)-6-iodo-2-nitropyridine-3-carbonitrile
SMILESN#Cc1cc(C(F)F)c(I)nc1[N+](=O)[O-]
InChIInChI=1S/C7H2F2IN3O2/c8-5(9)4-1-3(2-11)7(13(14)15)12-6(4)10/h1,5H
InChIKeyUGRXFACRQJFUHL-UHFFFAOYSA-N
XLogP2.40
TPSA79.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.01
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(difluoromethyl)-6-fluoro-2-nitropyridine-3-carbonitrile
CID 134685609
5-(difluoromethyl)-6-(hydroxymethyl)-2-nitropyridine-3-carbonitrile
CID 130078702
5-cyano-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 134676606
3-(difluoromethyl)-2-iodo-6-nitro-5-(trifluoromethyl)pyridine
CID 133101197
5-(chloromethyl)-3-(difluoromethyl)-2-iodo-6-nitropyridine
CID 130086612
[5-(difluoromethyl)-2-iodo-6-nitro-3-pyridinyl]methanamine
CID 130086516
3-(difluoromethyl)-6-fluoro-2-nitropyridine-4-carbonitrile
CID 134686625
5-(difluoromethyl)-2-nitropyridine-4-carbonitrile
CID 118805197
4-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 133107406
[4-(difluoromethyl)-6-iodo-2-nitro-3-pyridinyl]methanol
CID 118852204
2-[4-(difluoromethyl)-6-iodo-5-nitro-2-pyridinyl]acetonitrile
CID 118806601
5-(difluoromethyl)-3-iodo-2-methyl-6-nitropyridine
CID 130085938

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-6-iodo-2-nitropyridine-3-carbonitrile?
The IUPAC name of 5-(difluoromethyl)-6-iodo-2-nitropyridine-3-carbonitrile (CID 130077265) is 5-(difluoromethyl)-6-iodo-2-nitropyridine-3-carbonitrile.
What is the SMILES notation for 5-(difluoromethyl)-6-iodo-2-nitropyridine-3-carbonitrile?
The canonical SMILES for 5-(difluoromethyl)-6-iodo-2-nitropyridine-3-carbonitrile is N#Cc1cc(C(F)F)c(I)nc1[N+](=O)[O-].
What is the InChIKey of 5-(difluoromethyl)-6-iodo-2-nitropyridine-3-carbonitrile?
The InChIKey is UGRXFACRQJFUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F2IN3O2/c8-5(9)4-1-3(2-11)7(13(14)15)12-6(4)10/h1,5H.
What are the key properties of 5-(difluoromethyl)-6-iodo-2-nitropyridine-3-carbonitrile?
5-(difluoromethyl)-6-iodo-2-nitropyridine-3-carbonitrile has a molecular weight of 325.01 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-6-iodo-2-nitropyridine-3-carbonitrile is sourced from PubChem (CID 130077265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).