4-(difluoromethyl)-3-iodo-2-nitropyridine

C6H3F2IN2O2 — CID 118807047

IUPAC4-(difluoromethyl)-3-iodo-2-nitropyridine
SMILESO=[N+]([O-])c1nccc(C(F)F)c1I
InChIInChI=1S/C6H3F2IN2O2/c7-5(8)3-1-2-10-6(4(3)9)11(12)13/h1-2,5H
InChIKeyXCLZXBXLGIGSAP-UHFFFAOYSA-N
MW300.00 g/mol
LogP2.53
Rot. Bonds2

About 4-(difluoromethyl)-3-iodo-2-nitropyridine

4-(difluoromethyl)-3-iodo-2-nitropyridine (PubChem CID 118807047) has the molecular formula C6H3F2IN2O2 and a molecular weight of 300.00 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-iodo-2-nitropyridine.

Molecular Properties

Compound Name4-(difluoromethyl)-3-iodo-2-nitropyridine
PubChem CID118807047
Molecular FormulaC6H3F2IN2O2
Molecular Weight300.00 g/mol
Exact Mass299.92
IUPAC Name4-(difluoromethyl)-3-iodo-2-nitropyridine
SMILESO=[N+]([O-])c1nccc(C(F)F)c1I
InChIInChI=1S/C6H3F2IN2O2/c7-5(8)3-1-2-10-6(4(3)9)11(12)13/h1-2,5H
InChIKeyXCLZXBXLGIGSAP-UHFFFAOYSA-N
XLogP2.53
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.00
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

[4-(difluoromethyl)-2-nitro-3-pyridinyl]methanamine
CID 130097864
5-(difluoromethyl)-4-iodo-2-nitropyridine-3-carbaldehyde
CID 130086717
2-bromo-4-(difluoromethyl)-3-iodopyridine
CID 119013821
2-(chloromethyl)-4-(difluoromethyl)-3-nitropyridine
CID 118832467
methyl 4-(difluoromethyl)-3-iodopyridine-2-carboxylate
CID 130096872
5-(difluoromethyl)-4-iodo-3-nitropyridin-2-amine
CID 130105226
5-(difluoromethyl)-3-iodo-4-nitro-1H-pyridin-2-one
CID 130082568
5-(difluoromethyl)-3,4-dimethyl-2-nitropyridine
CID 130101236
[5-(difluoromethyl)-2-iodo-6-nitro-3-pyridinyl]methanamine
CID 130086516
5-bromo-3-(difluoromethyl)-4-iodo-2-nitropyridine
CID 130068182
5-(difluoromethyl)-3-iodo-2-methyl-6-nitropyridine
CID 130085938
5-(difluoromethyl)-3-iodo-6-nitropyridine-2-carbonyl chloride
CID 133100866

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-iodo-2-nitropyridine?
The IUPAC name of 4-(difluoromethyl)-3-iodo-2-nitropyridine (CID 118807047) is 4-(difluoromethyl)-3-iodo-2-nitropyridine.
What is the SMILES notation for 4-(difluoromethyl)-3-iodo-2-nitropyridine?
The canonical SMILES for 4-(difluoromethyl)-3-iodo-2-nitropyridine is O=[N+]([O-])c1nccc(C(F)F)c1I.
What is the InChIKey of 4-(difluoromethyl)-3-iodo-2-nitropyridine?
The InChIKey is XCLZXBXLGIGSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F2IN2O2/c7-5(8)3-1-2-10-6(4(3)9)11(12)13/h1-2,5H.
What are the key properties of 4-(difluoromethyl)-3-iodo-2-nitropyridine?
4-(difluoromethyl)-3-iodo-2-nitropyridine has a molecular weight of 300.00 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-3-iodo-2-nitropyridine is sourced from PubChem (CID 118807047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).