6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbaldehyde

C8H6F2INO2 — CID 118825947

IUPAC6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbaldehyde
SMILESCOc1cc(C=O)nc(C(F)F)c1I
InChIInChI=1S/C8H6F2INO2/c1-14-5-2-4(3-13)12-7(6(5)11)8(9)10/h2-3,8H,1H3
InChIKeyNFLLRJRXYUTGHS-UHFFFAOYSA-N
MW313.04 g/mol
LogP2.44
Rot. Bonds3

About 6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbaldehyde

6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbaldehyde (PubChem CID 118825947) has the molecular formula C8H6F2INO2 and a molecular weight of 313.04 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbaldehyde
PubChem CID118825947
Molecular FormulaC8H6F2INO2
Molecular Weight313.04 g/mol
Exact Mass312.94
IUPAC Name6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbaldehyde
SMILESCOc1cc(C=O)nc(C(F)F)c1I
InChIInChI=1S/C8H6F2INO2/c1-14-5-2-4(3-13)12-7(6(5)11)8(9)10/h2-3,8H,1H3
InChIKeyNFLLRJRXYUTGHS-UHFFFAOYSA-N
XLogP2.44
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.04
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-(difluoromethyl)-4,5-dimethoxypyridine-2-carbaldehyde
CID 118848622
6-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118809091
2-(difluoromethyl)-6-fluoro-3-iodo-4-methoxypyridine
CID 118826386
6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbaldehyde
CID 118809216
6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-sulfonyl chloride
CID 118854766
2-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbaldehyde
CID 130085753
6-chloro-5-(difluoromethyl)-4-methoxypyridine-2-carbaldehyde
CID 130073904
5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carbaldehyde
CID 130086925
6-(difluoromethyl)-3-methoxy-5-methylpyridine-2-carbaldehyde
CID 118814889
4-(aminomethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde
CID 118846700
5-amino-6-(difluoromethyl)-3-methoxypyridine-2-carbaldehyde
CID 130106113
4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118818531

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbaldehyde?
The IUPAC name of 6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbaldehyde (CID 118825947) is 6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbaldehyde.
What is the SMILES notation for 6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbaldehyde?
The canonical SMILES for 6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbaldehyde is COc1cc(C=O)nc(C(F)F)c1I.
What is the InChIKey of 6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbaldehyde?
The InChIKey is NFLLRJRXYUTGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2INO2/c1-14-5-2-4(3-13)12-7(6(5)11)8(9)10/h2-3,8H,1H3.
What are the key properties of 6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbaldehyde?
6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbaldehyde has a molecular weight of 313.04 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbaldehyde is sourced from PubChem (CID 118825947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).