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

C7H3ClF2INO — CID 118839528

IUPAC4-chloro-5-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
SMILESO=Cc1cc(Cl)c(C(F)F)c(I)n1
InChIInChI=1S/C7H3ClF2INO/c8-4-1-3(2-13)12-7(11)5(4)6(9)10/h1-2,6H
InChIKeyODWANFWYVQQEQM-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.09
Rot. Bonds2

About 4-chloro-5-(difluoromethyl)-6-iodopyridine-2-carbaldehyde

4-chloro-5-(difluoromethyl)-6-iodopyridine-2-carbaldehyde (PubChem CID 118839528) has the molecular formula C7H3ClF2INO and a molecular weight of 317.46 g/mol. Its IUPAC name is 4-chloro-5-(difluoromethyl)-6-iodopyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-chloro-5-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
PubChem CID118839528
Molecular FormulaC7H3ClF2INO
Molecular Weight317.46 g/mol
Exact Mass316.89
IUPAC Name4-chloro-5-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
SMILESO=Cc1cc(Cl)c(C(F)F)c(I)n1
InChIInChI=1S/C7H3ClF2INO/c8-4-1-3(2-13)12-7(11)5(4)6(9)10/h1-2,6H
InChIKeyODWANFWYVQQEQM-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-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbaldehyde
CID 118842634
4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
CID 130073333
4-(difluoromethyl)-6-iodo-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118812592
5-(bromomethyl)-4-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075269
[4-chloro-5-(difluoromethyl)-6-iodo-2-pyridinyl]methanol
CID 118845138
6-chloro-5-(difluoromethyl)-4-methoxypyridine-2-carbaldehyde
CID 130073904
2-chloro-3-(difluoromethyl)-6-iodopyridine-4-carbaldehyde
CID 119023319
6-chloro-3-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
CID 130073307
4-amino-5-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130107562
5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
CID 130086925
6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbaldehyde
CID 119010249
5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carbaldehyde
CID 130073315

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(difluoromethyl)-6-iodopyridine-2-carbaldehyde?
The IUPAC name of 4-chloro-5-(difluoromethyl)-6-iodopyridine-2-carbaldehyde (CID 118839528) is 4-chloro-5-(difluoromethyl)-6-iodopyridine-2-carbaldehyde.
What is the SMILES notation for 4-chloro-5-(difluoromethyl)-6-iodopyridine-2-carbaldehyde?
The canonical SMILES for 4-chloro-5-(difluoromethyl)-6-iodopyridine-2-carbaldehyde is O=Cc1cc(Cl)c(C(F)F)c(I)n1.
What is the InChIKey of 4-chloro-5-(difluoromethyl)-6-iodopyridine-2-carbaldehyde?
The InChIKey is ODWANFWYVQQEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF2INO/c8-4-1-3(2-13)12-7(11)5(4)6(9)10/h1-2,6H.
What are the key properties of 4-chloro-5-(difluoromethyl)-6-iodopyridine-2-carbaldehyde?
4-chloro-5-(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-5-(difluoromethyl)-6-iodopyridine-2-carbaldehyde is sourced from PubChem (CID 118839528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).