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

C8H6F2INO — CID 130086220

IUPAC5-(difluoromethyl)-2-iodo-3-methylpyridine-4-carbaldehyde
SMILESCc1c(I)ncc(C(F)F)c1C=O
InChIInChI=1S/C8H6F2INO/c1-4-6(3-13)5(7(9)10)2-12-8(4)11/h2-3,7H,1H3
InChIKeyQYMCJLYHPMMIIT-UHFFFAOYSA-N
MW297.04 g/mol
LogP2.74
Rot. Bonds2

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

5-(difluoromethyl)-2-iodo-3-methylpyridine-4-carbaldehyde (PubChem CID 130086220) has the molecular formula C8H6F2INO and a molecular weight of 297.04 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-iodo-3-methylpyridine-4-carbaldehyde.

Molecular Properties

Compound Name5-(difluoromethyl)-2-iodo-3-methylpyridine-4-carbaldehyde
PubChem CID130086220
Molecular FormulaC8H6F2INO
Molecular Weight297.04 g/mol
Exact Mass296.95
IUPAC Name5-(difluoromethyl)-2-iodo-3-methylpyridine-4-carbaldehyde
SMILESCc1c(I)ncc(C(F)F)c1C=O
InChIInChI=1S/C8H6F2INO/c1-4-6(3-13)5(7(9)10)2-12-8(4)11/h2-3,7H,1H3
InChIKeyQYMCJLYHPMMIIT-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-amino-5-(difluoromethyl)-2-iodopyridine-3-carbaldehyde
CID 118833462
5-(difluoromethyl)-2-fluoro-4-methylpyridine-3-carbaldehyde
CID 130081163
5-(difluoromethyl)-2-fluoro-4-iodopyridine-3-carbaldehyde
CID 130080238
2-chloro-5-(difluoromethyl)-3-iodopyridine-4-carbaldehyde
CID 119015773
5-(difluoromethyl)-4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde
CID 130087740
5-(difluoromethyl)-4-iodo-2-nitropyridine-3-carbaldehyde
CID 130086717
5-(difluoromethyl)-2-fluoro-4-iodo-3-methylpyridine
CID 130079918
5-(difluoromethyl)-3-fluoro-4-methylpyridine-2-carbaldehyde
CID 130081157
3-bromo-5-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
CID 130068411
3-bromo-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130108233
2-(difluoromethyl)-5-fluoro-3-methylpyridine-4-carbaldehyde
CID 118803644
2-bromo-5-(difluoromethyl)-4-iodo-3-methylpyridine
CID 118998609

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-iodo-3-methylpyridine-4-carbaldehyde?
The IUPAC name of 5-(difluoromethyl)-2-iodo-3-methylpyridine-4-carbaldehyde (CID 130086220) is 5-(difluoromethyl)-2-iodo-3-methylpyridine-4-carbaldehyde.
What is the SMILES notation for 5-(difluoromethyl)-2-iodo-3-methylpyridine-4-carbaldehyde?
The canonical SMILES for 5-(difluoromethyl)-2-iodo-3-methylpyridine-4-carbaldehyde is Cc1c(I)ncc(C(F)F)c1C=O.
What is the InChIKey of 5-(difluoromethyl)-2-iodo-3-methylpyridine-4-carbaldehyde?
The InChIKey is QYMCJLYHPMMIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2INO/c1-4-6(3-13)5(7(9)10)2-12-8(4)11/h2-3,7H,1H3.
What are the key properties of 5-(difluoromethyl)-2-iodo-3-methylpyridine-4-carbaldehyde?
5-(difluoromethyl)-2-iodo-3-methylpyridine-4-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 5-(difluoromethyl)-2-iodo-3-methylpyridine-4-carbaldehyde is sourced from PubChem (CID 130086220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).