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

C7H3BrF2INO — CID 119020836

IUPAC2-bromo-6-(difluoromethyl)-4-iodopyridine-3-carbaldehyde
SMILESO=Cc1c(I)cc(C(F)F)nc1Br
InChIInChI=1S/C7H3BrF2INO/c8-6-3(2-13)4(11)1-5(12-6)7(9)10/h1-2,7H
InChIKeyGESOQRJQIBXHKY-UHFFFAOYSA-N
MW361.91 g/mol
LogP3.20
Rot. Bonds2

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

2-bromo-6-(difluoromethyl)-4-iodopyridine-3-carbaldehyde (PubChem CID 119020836) has the molecular formula C7H3BrF2INO and a molecular weight of 361.91 g/mol. Its IUPAC name is 2-bromo-6-(difluoromethyl)-4-iodopyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-bromo-6-(difluoromethyl)-4-iodopyridine-3-carbaldehyde
PubChem CID119020836
Molecular FormulaC7H3BrF2INO
Molecular Weight361.91 g/mol
Exact Mass360.84
IUPAC Name2-bromo-6-(difluoromethyl)-4-iodopyridine-3-carbaldehyde
SMILESO=Cc1c(I)cc(C(F)F)nc1Br
InChIInChI=1S/C7H3BrF2INO/c8-6-3(2-13)4(11)1-5(12-6)7(9)10/h1-2,7H
InChIKeyGESOQRJQIBXHKY-UHFFFAOYSA-N
XLogP3.20
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.91
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

Analyze 2-bromo-6-(difluoromethyl)-4-iodopyridine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-6-(difluoromethyl)-4-iodopyridine-3-carbaldehyde
CID 119020004
6-(difluoromethyl)-4-iodo-2-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134679305
2-bromo-6-(difluoromethyl)-4-iodopyridin-3-ol
CID 119000379
2-amino-4-bromo-6-(difluoromethyl)pyridine-3-carbaldehyde
CID 119023805
3-bromo-6-(difluoromethyl)-2,4-diiodopyridine
CID 130100414
2-bromo-6-(difluoromethyl)-3-methoxypyridine-4-carbaldehyde
CID 119019185
2-bromo-6-(difluoromethyl)pyridine-4-carbaldehyde
CID 91086653
[2-bromo-6-(difluoromethyl)-3-iodo-4-pyridinyl]methanamine
CID 130068220
4-(bromomethyl)-6-(difluoromethyl)-2-methylpyridine-3-carbaldehyde
CID 130090124
6-(difluoromethyl)-3-fluoro-2,4-diiodopyridine
CID 130100479
6-(difluoromethyl)-3-fluoro-4-iodopyridine-2-carbonyl chloride
CID 130080374
5-bromo-2-(difluoromethyl)-4-iodopyridine
CID 130095026

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(difluoromethyl)-4-iodopyridine-3-carbaldehyde?
The IUPAC name of 2-bromo-6-(difluoromethyl)-4-iodopyridine-3-carbaldehyde (CID 119020836) is 2-bromo-6-(difluoromethyl)-4-iodopyridine-3-carbaldehyde.
What is the SMILES notation for 2-bromo-6-(difluoromethyl)-4-iodopyridine-3-carbaldehyde?
The canonical SMILES for 2-bromo-6-(difluoromethyl)-4-iodopyridine-3-carbaldehyde is O=Cc1c(I)cc(C(F)F)nc1Br.
What is the InChIKey of 2-bromo-6-(difluoromethyl)-4-iodopyridine-3-carbaldehyde?
The InChIKey is GESOQRJQIBXHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF2INO/c8-6-3(2-13)4(11)1-5(12-6)7(9)10/h1-2,7H.
What are the key properties of 2-bromo-6-(difluoromethyl)-4-iodopyridine-3-carbaldehyde?
2-bromo-6-(difluoromethyl)-4-iodopyridine-3-carbaldehyde has a molecular weight of 361.91 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(difluoromethyl)-4-iodopyridine-3-carbaldehyde is sourced from PubChem (CID 119020836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).