5-(chloromethyl)-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde

C8H5ClF2INO — CID 130087526

IUPAC5-(chloromethyl)-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
SMILESO=Cc1nc(I)c(CCl)cc1C(F)F
InChIInChI=1S/C8H5ClF2INO/c9-2-4-1-5(7(10)11)6(3-14)13-8(4)12/h1,3,7H,2H2
InChIKeyLXUIIHFDKCRRNO-UHFFFAOYSA-N
MW331.49 g/mol
LogP3.18
Rot. Bonds3

About 5-(chloromethyl)-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde

5-(chloromethyl)-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde (PubChem CID 130087526) has the molecular formula C8H5ClF2INO and a molecular weight of 331.49 g/mol. Its IUPAC name is 5-(chloromethyl)-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-(chloromethyl)-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
PubChem CID130087526
Molecular FormulaC8H5ClF2INO
Molecular Weight331.49 g/mol
Exact Mass330.91
IUPAC Name5-(chloromethyl)-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
SMILESO=Cc1nc(I)c(CCl)cc1C(F)F
InChIInChI=1S/C8H5ClF2INO/c9-2-4-1-5(7(10)11)6(3-14)13-8(4)12/h1,3,7H,2H2
InChIKeyLXUIIHFDKCRRNO-UHFFFAOYSA-N
XLogP3.18
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.18
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': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-3-(chloromethyl)-5-(difluoromethyl)pyridine-2-carbaldehyde
CID 118990917
2-bromo-3-(chloromethyl)-5-(difluoromethyl)-6-iodopyridine
CID 119010218
5-(difluoromethyl)-3-hydroxy-6-iodopyridine-2-carbaldehyde
CID 130082840
3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbaldehyde
CID 130086218
3-(chloromethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde
CID 130090489
6-chloro-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075599
5-(chloromethyl)-3-(difluoromethyl)-2-iodo-6-nitropyridine
CID 130086612
5-(chloromethyl)-6-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde
CID 130085191
4-(chloromethyl)-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde
CID 130082275
3-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075614
3-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130107570
5-amino-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130107550

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde?
The IUPAC name of 5-(chloromethyl)-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde (CID 130087526) is 5-(chloromethyl)-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde.
What is the SMILES notation for 5-(chloromethyl)-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde?
The canonical SMILES for 5-(chloromethyl)-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde is O=Cc1nc(I)c(CCl)cc1C(F)F.
What is the InChIKey of 5-(chloromethyl)-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde?
The InChIKey is LXUIIHFDKCRRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2INO/c9-2-4-1-5(7(10)11)6(3-14)13-8(4)12/h1,3,7H,2H2.
What are the key properties of 5-(chloromethyl)-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde?
5-(chloromethyl)-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde has a molecular weight of 331.49 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde is sourced from PubChem (CID 130087526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).