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

C8H5ClF2INO — CID 130087544

IUPAC5-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine-3-carbaldehyde
SMILESO=Cc1c(C(F)F)ncc(CCl)c1I
InChIInChI=1S/C8H5ClF2INO/c9-1-4-2-13-7(8(10)11)5(3-14)6(4)12/h2-3,8H,1H2
InChIKeyUTDJKSZPVWROTC-UHFFFAOYSA-N
MW331.49 g/mol
LogP3.18
Rot. Bonds3

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

5-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine-3-carbaldehyde (PubChem CID 130087544) has the molecular formula C8H5ClF2INO and a molecular weight of 331.49 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine-3-carbaldehyde
PubChem CID130087544
Molecular FormulaC8H5ClF2INO
Molecular Weight331.49 g/mol
Exact Mass330.91
IUPAC Name5-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine-3-carbaldehyde
SMILESO=Cc1c(C(F)F)ncc(CCl)c1I
InChIInChI=1S/C8H5ClF2INO/c9-1-4-2-13-7(8(10)11)5(3-14)6(4)12/h2-3,8H,1H2
InChIKeyUTDJKSZPVWROTC-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': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-(chloromethyl)-2-(difluoromethyl)-3-iodopyridine-4-carbaldehyde
CID 130087542
4-chloro-5-(chloromethyl)-2-(difluoromethyl)pyridine-3-carbaldehyde
CID 130075632
2-(difluoromethyl)-5-fluoro-4-iodopyridine-3-carbaldehyde
CID 118854258
3-chloro-5-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine
CID 130073182
5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 130113288
2-(difluoromethyl)-4-iodo-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 130087722
4-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
CID 130088514
4-(aminomethyl)-2-(difluoromethyl)-5-hydroxypyridine-3-carbaldehyde
CID 118829702
5-(difluoromethyl)-2-fluoro-4-iodopyridine-3-carbaldehyde
CID 130080238
5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130098388
3-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075618
2-chloro-5-(difluoromethyl)-3-iodopyridine-4-carbaldehyde
CID 119015773

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine-3-carbaldehyde?
The IUPAC name of 5-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine-3-carbaldehyde (CID 130087544) is 5-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine-3-carbaldehyde.
What is the SMILES notation for 5-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine-3-carbaldehyde?
The canonical SMILES for 5-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine-3-carbaldehyde is O=Cc1c(C(F)F)ncc(CCl)c1I.
What is the InChIKey of 5-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine-3-carbaldehyde?
The InChIKey is UTDJKSZPVWROTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2INO/c9-1-4-2-13-7(8(10)11)5(3-14)6(4)12/h2-3,8H,1H2.
What are the key properties of 5-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine-3-carbaldehyde?
5-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine-3-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)-2-(difluoromethyl)-4-iodopyridine-3-carbaldehyde is sourced from PubChem (CID 130087544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).