3-(difluoromethyl)-5-iodo-4-methylpyridine-2-carbaldehyde

C8H6F2INO — CID 130086216

IUPAC3-(difluoromethyl)-5-iodo-4-methylpyridine-2-carbaldehyde
SMILESCc1c(I)cnc(C=O)c1C(F)F
InChIInChI=1S/C8H6F2INO/c1-4-5(11)2-12-6(3-13)7(4)8(9)10/h2-3,8H,1H3
InChIKeyNNCLSYVTHHRMDA-UHFFFAOYSA-N
MW297.04 g/mol
LogP2.74
Rot. Bonds2

About 3-(difluoromethyl)-5-iodo-4-methylpyridine-2-carbaldehyde

3-(difluoromethyl)-5-iodo-4-methylpyridine-2-carbaldehyde (PubChem CID 130086216) has the molecular formula C8H6F2INO and a molecular weight of 297.04 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-iodo-4-methylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-(difluoromethyl)-5-iodo-4-methylpyridine-2-carbaldehyde
PubChem CID130086216
Molecular FormulaC8H6F2INO
Molecular Weight297.04 g/mol
Exact Mass296.95
IUPAC Name3-(difluoromethyl)-5-iodo-4-methylpyridine-2-carbaldehyde
SMILESCc1c(I)cnc(C=O)c1C(F)F
InChIInChI=1S/C8H6F2INO/c1-4-5(11)2-12-6(3-13)7(4)8(9)10/h2-3,8H,1H3
InChIKeyNNCLSYVTHHRMDA-UHFFFAOYSA-N
XLogP2.74
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.04
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbaldehyde
CID 130087191
3-(aminomethyl)-4-(difluoromethyl)-5-iodopyridine-2-carbaldehyde
CID 130086932
4-(difluoromethyl)-5-fluoro-3-iodopyridine-2-carbaldehyde
CID 118829503
4-(difluoromethyl)-3-methyl-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118846177
4-(difluoromethyl)-5-methoxy-3-methylpyridine-2-carbaldehyde
CID 118834229
5-(difluoromethyl)-3-fluoro-4-methylpyridine-2-carbaldehyde
CID 130081157
3-(difluoromethyl)-4-fluoro-5-hydroxypyridine-2-carbaldehyde
CID 130079623
5-bromo-3-(difluoromethyl)-2-formylpyridine-4-carbonitrile
CID 130108998
3-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 133104109
3,5-diamino-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130098772
3-(difluoromethyl)-2-formyl-5-(trifluoromethyl)pyridine-4-carbonitrile
CID 118822043
5-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde
CID 130081680

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-iodo-4-methylpyridine-2-carbaldehyde?
The IUPAC name of 3-(difluoromethyl)-5-iodo-4-methylpyridine-2-carbaldehyde (CID 130086216) is 3-(difluoromethyl)-5-iodo-4-methylpyridine-2-carbaldehyde.
What is the SMILES notation for 3-(difluoromethyl)-5-iodo-4-methylpyridine-2-carbaldehyde?
The canonical SMILES for 3-(difluoromethyl)-5-iodo-4-methylpyridine-2-carbaldehyde is Cc1c(I)cnc(C=O)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-5-iodo-4-methylpyridine-2-carbaldehyde?
The InChIKey is NNCLSYVTHHRMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2INO/c1-4-5(11)2-12-6(3-13)7(4)8(9)10/h2-3,8H,1H3.
What are the key properties of 3-(difluoromethyl)-5-iodo-4-methylpyridine-2-carbaldehyde?
3-(difluoromethyl)-5-iodo-4-methylpyridine-2-carbaldehyde has a molecular weight of 297.04 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-iodo-4-methylpyridine-2-carbaldehyde is sourced from PubChem (CID 130086216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).