2-amino-6-(difluoromethyl)-4-iodopyridine-3-carbaldehyde

C7H5F2IN2O — CID 119020004

IUPAC2-amino-6-(difluoromethyl)-4-iodopyridine-3-carbaldehyde
SMILESNc1nc(C(F)F)cc(I)c1C=O
InChIInChI=1S/C7H5F2IN2O/c8-6(9)5-1-4(10)3(2-13)7(11)12-5/h1-2,6H,(H2,11,12)
InChIKeyMDBUMLLPLAIPHQ-UHFFFAOYSA-N
MW298.03 g/mol
LogP2.02
Rot. Bonds2

About 2-amino-6-(difluoromethyl)-4-iodopyridine-3-carbaldehyde

2-amino-6-(difluoromethyl)-4-iodopyridine-3-carbaldehyde (PubChem CID 119020004) has the molecular formula C7H5F2IN2O and a molecular weight of 298.03 g/mol. Its IUPAC name is 2-amino-6-(difluoromethyl)-4-iodopyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-amino-6-(difluoromethyl)-4-iodopyridine-3-carbaldehyde
PubChem CID119020004
Molecular FormulaC7H5F2IN2O
Molecular Weight298.03 g/mol
Exact Mass297.94
IUPAC Name2-amino-6-(difluoromethyl)-4-iodopyridine-3-carbaldehyde
SMILESNc1nc(C(F)F)cc(I)c1C=O
InChIInChI=1S/C7H5F2IN2O/c8-6(9)5-1-4(10)3(2-13)7(11)12-5/h1-2,6H,(H2,11,12)
InChIKeyMDBUMLLPLAIPHQ-UHFFFAOYSA-N
XLogP2.02
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.03
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-(difluoromethyl)-4-iodo-2-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134679305
2-amino-4-bromo-6-(difluoromethyl)pyridine-3-carbaldehyde
CID 119023805
2-bromo-6-(difluoromethyl)-4-iodopyridine-3-carbaldehyde
CID 119020836
3-chloro-6-(difluoromethyl)-4-iodopyridin-2-amine
CID 118996077
2-chloro-6-(difluoromethyl)-4-iodopyridin-3-amine
CID 130102506
2-amino-4-bromo-6-(difluoromethyl)pyridine-3-sulfonamide
CID 130102336
4-(bromomethyl)-6-(difluoromethyl)-3-iodopyridin-2-amine
CID 119010652
6-(difluoromethyl)-3-fluoro-2,4-diiodopyridine
CID 130100479
6-(difluoromethyl)-4-fluoro-2-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134662118
6-(difluoromethyl)-3-fluoro-4-iodopyridine-2-carbonyl chloride
CID 130080374
2-amino-6-(difluoromethyl)-4-methylpyridine-3-sulfonamide
CID 118995995
6-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)pyridin-2-amine
CID 119007069

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(difluoromethyl)-4-iodopyridine-3-carbaldehyde?
The IUPAC name of 2-amino-6-(difluoromethyl)-4-iodopyridine-3-carbaldehyde (CID 119020004) is 2-amino-6-(difluoromethyl)-4-iodopyridine-3-carbaldehyde.
What is the SMILES notation for 2-amino-6-(difluoromethyl)-4-iodopyridine-3-carbaldehyde?
The canonical SMILES for 2-amino-6-(difluoromethyl)-4-iodopyridine-3-carbaldehyde is Nc1nc(C(F)F)cc(I)c1C=O.
What is the InChIKey of 2-amino-6-(difluoromethyl)-4-iodopyridine-3-carbaldehyde?
The InChIKey is MDBUMLLPLAIPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2IN2O/c8-6(9)5-1-4(10)3(2-13)7(11)12-5/h1-2,6H,(H2,11,12).
What are the key properties of 2-amino-6-(difluoromethyl)-4-iodopyridine-3-carbaldehyde?
2-amino-6-(difluoromethyl)-4-iodopyridine-3-carbaldehyde has a molecular weight of 298.03 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(difluoromethyl)-4-iodopyridine-3-carbaldehyde is sourced from PubChem (CID 119020004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).