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

C7H3BrF2INO — CID 130068407

IUPAC3-bromo-4-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
SMILESO=Cc1nc(I)cc(C(F)F)c1Br
InChIInChI=1S/C7H3BrF2INO/c8-6-3(7(9)10)1-5(11)12-4(6)2-13/h1-2,7H
InChIKeyNPNITCSBEGTGQC-UHFFFAOYSA-N
MW361.91 g/mol
LogP3.20
Rot. Bonds2

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

3-bromo-4-(difluoromethyl)-6-iodopyridine-2-carbaldehyde (PubChem CID 130068407) has the molecular formula C7H3BrF2INO and a molecular weight of 361.91 g/mol. Its IUPAC name is 3-bromo-4-(difluoromethyl)-6-iodopyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-bromo-4-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
PubChem CID130068407
Molecular FormulaC7H3BrF2INO
Molecular Weight361.91 g/mol
Exact Mass360.84
IUPAC Name3-bromo-4-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
SMILESO=Cc1nc(I)cc(C(F)F)c1Br
InChIInChI=1S/C7H3BrF2INO/c8-6-3(7(9)10)1-5(11)12-4(6)2-13/h1-2,7H
InChIKeyNPNITCSBEGTGQC-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'}

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Related Compounds

3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130070871
4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
CID 130073333
3-bromo-5-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
CID 130068411
5-(difluoromethyl)-3-hydroxy-6-iodopyridine-2-carbaldehyde
CID 130082840
3-bromo-4-(difluoromethyl)-6-iodopyridine-2-carbonyl chloride
CID 130068522
3-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carbaldehyde
CID 130109712
3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbaldehyde
CID 130086218
3-(difluoromethyl)-6-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134664946
5-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde
CID 130095219
6-bromo-3-(chloromethyl)-5-(difluoromethyl)pyridine-2-carbaldehyde
CID 118990917
5-(chloromethyl)-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
CID 130087526
2-(difluoromethyl)-6-iodo-3-nitropyridine-4-carbaldehyde
CID 118803878

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(difluoromethyl)-6-iodopyridine-2-carbaldehyde?
The IUPAC name of 3-bromo-4-(difluoromethyl)-6-iodopyridine-2-carbaldehyde (CID 130068407) is 3-bromo-4-(difluoromethyl)-6-iodopyridine-2-carbaldehyde.
What is the SMILES notation for 3-bromo-4-(difluoromethyl)-6-iodopyridine-2-carbaldehyde?
The canonical SMILES for 3-bromo-4-(difluoromethyl)-6-iodopyridine-2-carbaldehyde is O=Cc1nc(I)cc(C(F)F)c1Br.
What is the InChIKey of 3-bromo-4-(difluoromethyl)-6-iodopyridine-2-carbaldehyde?
The InChIKey is NPNITCSBEGTGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF2INO/c8-6-3(7(9)10)1-5(11)12-4(6)2-13/h1-2,7H.
What are the key properties of 3-bromo-4-(difluoromethyl)-6-iodopyridine-2-carbaldehyde?
3-bromo-4-(difluoromethyl)-6-iodopyridine-2-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 3-bromo-4-(difluoromethyl)-6-iodopyridine-2-carbaldehyde is sourced from PubChem (CID 130068407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).