2-(difluoromethyl)-6-iodo-3-nitropyridine-4-carbaldehyde

C7H3F2IN2O3 — CID 118803878

IUPAC2-(difluoromethyl)-6-iodo-3-nitropyridine-4-carbaldehyde
SMILESO=Cc1cc(I)nc(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C7H3F2IN2O3/c8-7(9)5-6(12(14)15)3(2-13)1-4(10)11-5/h1-2,7H
InChIKeyTVWPFFCGORLNJK-UHFFFAOYSA-N
MW328.01 g/mol
LogP2.34
Rot. Bonds3

About 2-(difluoromethyl)-6-iodo-3-nitropyridine-4-carbaldehyde

2-(difluoromethyl)-6-iodo-3-nitropyridine-4-carbaldehyde (PubChem CID 118803878) has the molecular formula C7H3F2IN2O3 and a molecular weight of 328.01 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-iodo-3-nitropyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-(difluoromethyl)-6-iodo-3-nitropyridine-4-carbaldehyde
PubChem CID118803878
Molecular FormulaC7H3F2IN2O3
Molecular Weight328.01 g/mol
Exact Mass327.92
IUPAC Name2-(difluoromethyl)-6-iodo-3-nitropyridine-4-carbaldehyde
SMILESO=Cc1cc(I)nc(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C7H3F2IN2O3/c8-7(9)5-6(12(14)15)3(2-13)1-4(10)11-5/h1-2,7H
InChIKeyTVWPFFCGORLNJK-UHFFFAOYSA-N
XLogP2.34
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.01
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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

2-(difluoromethyl)-6-fluoro-3-nitropyridine-4-carbaldehyde
CID 118820515
2-(difluoromethyl)-6-iodo-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 118809461
6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbaldehyde
CID 118809216
4-bromo-6-(difluoromethyl)-5-nitropyridine-3-carbaldehyde
CID 130069917
6-(difluoromethyl)-3-nitro-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134682914
2-(difluoromethyl)-3,4-diiodo-6-nitropyridine
CID 118842792
2-chloro-3-(difluoromethyl)-6-iodopyridine-4-carbaldehyde
CID 119023319
2-[6-(difluoromethyl)-4-iodo-5-nitro-2-pyridinyl]acetic acid
CID 118843110
3-bromo-2-(difluoromethyl)-4-iodo-6-nitropyridine
CID 130110794
4-(aminomethyl)-2-(difluoromethyl)-6-iodopyridine-3-carbaldehyde
CID 118812768
6-bromo-2-(difluoromethyl)-4-methyl-3-nitropyridine
CID 130069110
6-bromo-4-(difluoromethyl)-2-iodo-3-nitropyridine
CID 130110786

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-iodo-3-nitropyridine-4-carbaldehyde?
The IUPAC name of 2-(difluoromethyl)-6-iodo-3-nitropyridine-4-carbaldehyde (CID 118803878) is 2-(difluoromethyl)-6-iodo-3-nitropyridine-4-carbaldehyde.
What is the SMILES notation for 2-(difluoromethyl)-6-iodo-3-nitropyridine-4-carbaldehyde?
The canonical SMILES for 2-(difluoromethyl)-6-iodo-3-nitropyridine-4-carbaldehyde is O=Cc1cc(I)nc(C(F)F)c1[N+](=O)[O-].
What is the InChIKey of 2-(difluoromethyl)-6-iodo-3-nitropyridine-4-carbaldehyde?
The InChIKey is TVWPFFCGORLNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F2IN2O3/c8-7(9)5-6(12(14)15)3(2-13)1-4(10)11-5/h1-2,7H.
What are the key properties of 2-(difluoromethyl)-6-iodo-3-nitropyridine-4-carbaldehyde?
2-(difluoromethyl)-6-iodo-3-nitropyridine-4-carbaldehyde has a molecular weight of 328.01 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6-iodo-3-nitropyridine-4-carbaldehyde is sourced from PubChem (CID 118803878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).