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

C7H3ClF2INO — CID 130073333

IUPAC4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
SMILESO=Cc1nc(I)cc(Cl)c1C(F)F
InChIInChI=1S/C7H3ClF2INO/c8-3-1-5(11)12-4(2-13)6(3)7(9)10/h1-2,7H
InChIKeyRGGBGZNPMNVAJO-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.09
Rot. Bonds2

About 4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde

4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde (PubChem CID 130073333) has the molecular formula C7H3ClF2INO and a molecular weight of 317.46 g/mol. Its IUPAC name is 4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
PubChem CID130073333
Molecular FormulaC7H3ClF2INO
Molecular Weight317.46 g/mol
Exact Mass316.89
IUPAC Name4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
SMILESO=Cc1nc(I)cc(Cl)c1C(F)F
InChIInChI=1S/C7H3ClF2INO/c8-3-1-5(11)12-4(2-13)6(3)7(9)10/h1-2,7H
InChIKeyRGGBGZNPMNVAJO-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-3-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
CID 130073307
3-(difluoromethyl)-6-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134664946
2,4-dichloro-3-(difluoromethyl)-6-iodopyridine
CID 118998644
2-chloro-3-(difluoromethyl)-6-iodopyridine-4-carbaldehyde
CID 119023319
4-chloro-5-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
CID 118839528
5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carbaldehyde
CID 130073315
4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbonyl chloride
CID 118845152
3-bromo-4-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
CID 130068407
6-chloro-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130075823
4-chloro-3-(difluoromethyl)-6-iodo-2-methoxypyridine
CID 118805504
5-(difluoromethyl)-6-formyl-4-iodopyridine-2-carbonitrile
CID 130077547
6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbaldehyde
CID 118842634

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde?
The IUPAC name of 4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde (CID 130073333) is 4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde.
What is the SMILES notation for 4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde?
The canonical SMILES for 4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde is O=Cc1nc(I)cc(Cl)c1C(F)F.
What is the InChIKey of 4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde?
The InChIKey is RGGBGZNPMNVAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF2INO/c8-3-1-5(11)12-4(2-13)6(3)7(9)10/h1-2,7H.
What are the key properties of 4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde?
4-chloro-3-(difluoromethyl)-6-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 4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde is sourced from PubChem (CID 130073333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).