6-(difluoromethyl)-4,5-dimethoxypyridine-2-carbaldehyde

C9H9F2NO3 — CID 118848622

IUPAC6-(difluoromethyl)-4,5-dimethoxypyridine-2-carbaldehyde
SMILESCOc1cc(C=O)nc(C(F)F)c1OC
InChIInChI=1S/C9H9F2NO3/c1-14-6-3-5(4-13)12-7(9(10)11)8(6)15-2/h3-4,9H,1-2H3
InChIKeyZGBSMBIVIZIXDH-UHFFFAOYSA-N
MW217.17 g/mol
LogP1.85
Rot. Bonds4

About 6-(difluoromethyl)-4,5-dimethoxypyridine-2-carbaldehyde

6-(difluoromethyl)-4,5-dimethoxypyridine-2-carbaldehyde (PubChem CID 118848622) has the molecular formula C9H9F2NO3 and a molecular weight of 217.17 g/mol. Its IUPAC name is 6-(difluoromethyl)-4,5-dimethoxypyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(difluoromethyl)-4,5-dimethoxypyridine-2-carbaldehyde
PubChem CID118848622
Molecular FormulaC9H9F2NO3
Molecular Weight217.17 g/mol
Exact Mass217.06
IUPAC Name6-(difluoromethyl)-4,5-dimethoxypyridine-2-carbaldehyde
SMILESCOc1cc(C=O)nc(C(F)F)c1OC
InChIInChI=1S/C9H9F2NO3/c1-14-6-3-5(4-13)12-7(9(10)11)8(6)15-2/h3-4,9H,1-2H3
InChIKeyZGBSMBIVIZIXDH-UHFFFAOYSA-N
XLogP1.85
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.17
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118809091
6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbaldehyde
CID 118825947
6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbaldehyde
CID 118809216
2-(difluoromethyl)-6-iodo-3,4-dimethoxypyridine
CID 118842846
6-chloro-5-(difluoromethyl)-4-methoxypyridine-2-carbaldehyde
CID 130073904
2-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbaldehyde
CID 130085753
6-(difluoromethyl)-3-methoxy-5-methylpyridine-2-carbaldehyde
CID 118814889
4,8-dimethoxyquinoline-2-carbaldehyde
CID 23125776
2-(difluoromethyl)-3-methoxy-4,6-dimethylpyridine
CID 130101193
4-(difluoromethyl)-6-formyl-3-methoxypyridine-2-carbonitrile
CID 119024722
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)-4,5-dimethoxypyridine-2-carbaldehyde?
The IUPAC name of 6-(difluoromethyl)-4,5-dimethoxypyridine-2-carbaldehyde (CID 118848622) is 6-(difluoromethyl)-4,5-dimethoxypyridine-2-carbaldehyde.
What is the SMILES notation for 6-(difluoromethyl)-4,5-dimethoxypyridine-2-carbaldehyde?
The canonical SMILES for 6-(difluoromethyl)-4,5-dimethoxypyridine-2-carbaldehyde is COc1cc(C=O)nc(C(F)F)c1OC.
What is the InChIKey of 6-(difluoromethyl)-4,5-dimethoxypyridine-2-carbaldehyde?
The InChIKey is ZGBSMBIVIZIXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO3/c1-14-6-3-5(4-13)12-7(9(10)11)8(6)15-2/h3-4,9H,1-2H3.
What are the key properties of 6-(difluoromethyl)-4,5-dimethoxypyridine-2-carbaldehyde?
6-(difluoromethyl)-4,5-dimethoxypyridine-2-carbaldehyde has a molecular weight of 217.17 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-4,5-dimethoxypyridine-2-carbaldehyde is sourced from PubChem (CID 118848622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).