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

C7H3ClF2INO — CID 130073315

IUPAC5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carbaldehyde
SMILESO=Cc1nc(C(F)F)c(Cl)cc1I
InChIInChI=1S/C7H3ClF2INO/c8-3-1-4(11)5(2-13)12-6(3)7(9)10/h1-2,7H
InChIKeyQOFMDBTUMSBNOX-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.09
Rot. Bonds2

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

5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carbaldehyde (PubChem CID 130073315) has the molecular formula C7H3ClF2INO and a molecular weight of 317.46 g/mol. Its IUPAC name is 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carbaldehyde
PubChem CID130073315
Molecular FormulaC7H3ClF2INO
Molecular Weight317.46 g/mol
Exact Mass316.89
IUPAC Name5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carbaldehyde
SMILESO=Cc1nc(C(F)F)c(Cl)cc1I
InChIInChI=1S/C7H3ClF2INO/c8-3-1-4(11)5(2-13)12-6(3)7(9)10/h1-2,7H
InChIKeyQOFMDBTUMSBNOX-UHFFFAOYSA-N
XLogP3.09
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.09
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

3-chloro-2-(difluoromethyl)-5-iodo-6-methylpyridine
CID 130073015
3-chloro-6-(difluoromethyl)-5-hydroxypyridine-2-carbaldehyde
CID 130072655
5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 130073352
6-(difluoromethyl)-3,5-difluoropyridine-2-carbaldehyde
CID 130099862
4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
CID 130073333
5-chloro-6-(difluoromethyl)-3-iodopyridine-2-sulfonamide
CID 130073589
6-chloro-3-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
CID 130073307
[5-chloro-6-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine
CID 118814520
6-(difluoromethyl)-3-fluoro-5-methylpyridine-2-carbaldehyde
CID 130081136
5-chloro-2-(difluoromethyl)-6-fluoro-3-iodopyridine
CID 130071572
4-chloro-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde
CID 118839466
6-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130082465

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carbaldehyde?
The IUPAC name of 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carbaldehyde (CID 130073315) is 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carbaldehyde.
What is the SMILES notation for 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carbaldehyde?
The canonical SMILES for 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carbaldehyde is O=Cc1nc(C(F)F)c(Cl)cc1I.
What is the InChIKey of 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carbaldehyde?
The InChIKey is QOFMDBTUMSBNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF2INO/c8-3-1-4(11)5(2-13)12-6(3)7(9)10/h1-2,7H.
What are the key properties of 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carbaldehyde?
5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carbaldehyde has a molecular weight of 317.46 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carbaldehyde is sourced from PubChem (CID 130073315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).