4-(bromomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbaldehyde

C8H5BrF2INO — CID 130087191

IUPAC4-(bromomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbaldehyde
SMILESO=Cc1ncc(I)c(CBr)c1C(F)F
InChIInChI=1S/C8H5BrF2INO/c9-1-4-5(12)2-13-6(3-14)7(4)8(10)11/h2-3,8H,1H2
InChIKeyGTHOSNDEUMSJSP-UHFFFAOYSA-N
MW375.94 g/mol
LogP3.33
Rot. Bonds3

About 4-(bromomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbaldehyde

4-(bromomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbaldehyde (PubChem CID 130087191) has the molecular formula C8H5BrF2INO and a molecular weight of 375.94 g/mol. Its IUPAC name is 4-(bromomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-(bromomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbaldehyde
PubChem CID130087191
Molecular FormulaC8H5BrF2INO
Molecular Weight375.94 g/mol
Exact Mass374.86
IUPAC Name4-(bromomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbaldehyde
SMILESO=Cc1ncc(I)c(CBr)c1C(F)F
InChIInChI=1S/C8H5BrF2INO/c9-1-4-5(12)2-13-6(3-14)7(4)8(10)11/h2-3,8H,1H2
InChIKeyGTHOSNDEUMSJSP-UHFFFAOYSA-N
XLogP3.33
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.94
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(difluoromethyl)-5-iodo-4-methylpyridine-2-carbaldehyde
CID 130086216
4-(bromomethyl)-2-chloro-3-(difluoromethyl)-5-iodopyridine
CID 130073145
3-(aminomethyl)-4-(difluoromethyl)-5-iodopyridine-2-carbaldehyde
CID 130086932
5-(bromomethyl)-4-(difluoromethyl)-6-formylpyridine-3-carbonitrile
CID 130078966
3-amino-5-(bromomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130107224
3-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 130113208
4-(difluoromethyl)-5-fluoro-3-iodopyridine-2-carbaldehyde
CID 118829503
4-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118829146
4-(bromomethyl)-2-(difluoromethyl)-5-iodopyridin-3-amine
CID 130105305
4-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134668401
2-[2-(bromomethyl)-3-(difluoromethyl)-5-iodo-4-pyridinyl]acetonitrile
CID 130087046
5-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde
CID 130081680

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbaldehyde?
The IUPAC name of 4-(bromomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbaldehyde (CID 130087191) is 4-(bromomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbaldehyde.
What is the SMILES notation for 4-(bromomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbaldehyde?
The canonical SMILES for 4-(bromomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbaldehyde is O=Cc1ncc(I)c(CBr)c1C(F)F.
What is the InChIKey of 4-(bromomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbaldehyde?
The InChIKey is GTHOSNDEUMSJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2INO/c9-1-4-5(12)2-13-6(3-14)7(4)8(10)11/h2-3,8H,1H2.
What are the key properties of 4-(bromomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbaldehyde?
4-(bromomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbaldehyde has a molecular weight of 375.94 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbaldehyde is sourced from PubChem (CID 130087191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).