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

C7H3ClF2INO — CID 130073307

IUPAC6-chloro-3-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
SMILESO=Cc1nc(Cl)cc(I)c1C(F)F
InChIInChI=1S/C7H3ClF2INO/c8-5-1-3(11)6(7(9)10)4(2-13)12-5/h1-2,7H
InChIKeyNAMKFPWTVXVDGV-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.09
Rot. Bonds2

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

6-chloro-3-(difluoromethyl)-4-iodopyridine-2-carbaldehyde (PubChem CID 130073307) has the molecular formula C7H3ClF2INO and a molecular weight of 317.46 g/mol. Its IUPAC name is 6-chloro-3-(difluoromethyl)-4-iodopyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-chloro-3-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
PubChem CID130073307
Molecular FormulaC7H3ClF2INO
Molecular Weight317.46 g/mol
Exact Mass316.89
IUPAC Name6-chloro-3-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
SMILESO=Cc1nc(Cl)cc(I)c1C(F)F
InChIInChI=1S/C7H3ClF2INO/c8-5-1-3(11)6(7(9)10)4(2-13)12-5/h1-2,7H
InChIKeyNAMKFPWTVXVDGV-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

4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
CID 130073333
6-chloro-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130075823
5-(difluoromethyl)-6-formyl-4-iodopyridine-2-carbonitrile
CID 130077547
6-chloro-3-(difluoromethyl)-4-iodo-2-nitropyridine
CID 130073042
5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carbaldehyde
CID 130073315
6-chloro-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075599
4-chloro-5-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
CID 118839528
6-amino-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde
CID 130104210
4-bromo-6-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbaldehyde
CID 130070650
2-chloro-3-(difluoromethyl)-6-iodopyridine-4-carbaldehyde
CID 119023319
3-(difluoromethyl)-6-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134664946
3-(difluoromethyl)-4-fluoro-6-methylpyridine-2-carbaldehyde
CID 130081152

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(difluoromethyl)-4-iodopyridine-2-carbaldehyde?
The IUPAC name of 6-chloro-3-(difluoromethyl)-4-iodopyridine-2-carbaldehyde (CID 130073307) is 6-chloro-3-(difluoromethyl)-4-iodopyridine-2-carbaldehyde.
What is the SMILES notation for 6-chloro-3-(difluoromethyl)-4-iodopyridine-2-carbaldehyde?
The canonical SMILES for 6-chloro-3-(difluoromethyl)-4-iodopyridine-2-carbaldehyde is O=Cc1nc(Cl)cc(I)c1C(F)F.
What is the InChIKey of 6-chloro-3-(difluoromethyl)-4-iodopyridine-2-carbaldehyde?
The InChIKey is NAMKFPWTVXVDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF2INO/c8-5-1-3(11)6(7(9)10)4(2-13)12-5/h1-2,7H.
What are the key properties of 6-chloro-3-(difluoromethyl)-4-iodopyridine-2-carbaldehyde?
6-chloro-3-(difluoromethyl)-4-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 6-chloro-3-(difluoromethyl)-4-iodopyridine-2-carbaldehyde is sourced from PubChem (CID 130073307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).