3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbaldehyde

C8H6F2INO — CID 130086218

IUPAC3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbaldehyde
SMILESCc1nc(C=O)c(C(F)F)cc1I
InChIInChI=1S/C8H6F2INO/c1-4-6(11)2-5(8(9)10)7(3-13)12-4/h2-3,8H,1H3
InChIKeyBMJKTTFVZQAKOT-UHFFFAOYSA-N
MW297.04 g/mol
LogP2.74
Rot. Bonds2

About 3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbaldehyde

3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbaldehyde (PubChem CID 130086218) has the molecular formula C8H6F2INO and a molecular weight of 297.04 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbaldehyde
PubChem CID130086218
Molecular FormulaC8H6F2INO
Molecular Weight297.04 g/mol
Exact Mass296.95
IUPAC Name3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbaldehyde
SMILESCc1nc(C=O)c(C(F)F)cc1I
InChIInChI=1S/C8H6F2INO/c1-4-6(11)2-5(8(9)10)7(3-13)12-4/h2-3,8H,1H3
InChIKeyBMJKTTFVZQAKOT-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'}

Analyze 3-(difluoromethyl)-5-iodo-6-methylpyridine-2-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-bromo-3-(difluoromethyl)-5-iodo-6-methylpyridine
CID 118997432
5-(difluoromethyl)-3-iodo-2-methyl-6-nitropyridine
CID 130085938
3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbonyl chloride
CID 130086377
5-(chloromethyl)-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
CID 130087526
5-(difluoromethyl)-2,6-dimethylpyridine-3-carbaldehyde
CID 130101411
5-(difluoromethyl)-3-hydroxy-6-iodopyridine-2-carbaldehyde
CID 130082840
3-bromo-4-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
CID 130068407
4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbaldehyde
CID 118812855
4-(difluoromethyl)-3-methyl-6-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118829306
6-(difluoromethyl)-3-fluoro-5-methylpyridine-2-carbaldehyde
CID 130081136
5-(difluoromethyl)-6-formyl-2-methoxypyridine-3-carbonitrile
CID 130078112
6-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-2-carbaldehyde
CID 118836807

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbaldehyde?
The IUPAC name of 3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbaldehyde (CID 130086218) is 3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbaldehyde.
What is the SMILES notation for 3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbaldehyde?
The canonical SMILES for 3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbaldehyde is Cc1nc(C=O)c(C(F)F)cc1I.
What is the InChIKey of 3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbaldehyde?
The InChIKey is BMJKTTFVZQAKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2INO/c1-4-6(11)2-5(8(9)10)7(3-13)12-4/h2-3,8H,1H3.
What are the key properties of 3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbaldehyde?
3-(difluoromethyl)-5-iodo-6-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-6-methylpyridine-2-carbaldehyde is sourced from PubChem (CID 130086218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).