6-(difluoromethyl)-3-methoxy-5-methylpyridine-2-carbaldehyde

C9H9F2NO2 — CID 118814889

IUPAC6-(difluoromethyl)-3-methoxy-5-methylpyridine-2-carbaldehyde
SMILESCOc1cc(C)c(C(F)F)nc1C=O
InChIInChI=1S/C9H9F2NO2/c1-5-3-7(14-2)6(4-13)12-8(5)9(10)11/h3-4,9H,1-2H3
InChIKeyZVHLRGLDNOIHKF-UHFFFAOYSA-N
MW201.17 g/mol
LogP2.15
Rot. Bonds3

About 6-(difluoromethyl)-3-methoxy-5-methylpyridine-2-carbaldehyde

6-(difluoromethyl)-3-methoxy-5-methylpyridine-2-carbaldehyde (PubChem CID 118814889) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-methoxy-5-methylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(difluoromethyl)-3-methoxy-5-methylpyridine-2-carbaldehyde
PubChem CID118814889
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Name6-(difluoromethyl)-3-methoxy-5-methylpyridine-2-carbaldehyde
SMILESCOc1cc(C)c(C(F)F)nc1C=O
InChIInChI=1S/C9H9F2NO2/c1-5-3-7(14-2)6(4-13)12-8(5)9(10)11/h3-4,9H,1-2H3
InChIKeyZVHLRGLDNOIHKF-UHFFFAOYSA-N
XLogP2.15
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-6-(difluoromethyl)-3-methoxypyridine-2-carbaldehyde
CID 130106113
2-(difluoromethyl)-5,6-dimethoxy-3-methylpyridine
CID 130100894
6-(difluoromethyl)-3-fluoro-5-methylpyridine-2-carbaldehyde
CID 130081136
3-(chloromethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde
CID 130090489
2-(difluoromethyl)-6-methoxy-3,5-dimethylpyridine
CID 130101210
6-(difluoromethyl)-4,5-dimethoxypyridine-2-carbaldehyde
CID 118848622
4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbaldehyde
CID 118812855
2-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbaldehyde
CID 130085753
6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbaldehyde
CID 118825947
6-(difluoromethyl)-3,5-difluoropyridine-2-carbaldehyde
CID 130099862
4-(difluoromethyl)-5-methoxy-3-methylpyridine-2-carbaldehyde
CID 118834229
5-bromo-3,6-dimethoxypyridine-2-carbaldehyde
CID 176871253

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-methoxy-5-methylpyridine-2-carbaldehyde?
The IUPAC name of 6-(difluoromethyl)-3-methoxy-5-methylpyridine-2-carbaldehyde (CID 118814889) is 6-(difluoromethyl)-3-methoxy-5-methylpyridine-2-carbaldehyde.
What is the SMILES notation for 6-(difluoromethyl)-3-methoxy-5-methylpyridine-2-carbaldehyde?
The canonical SMILES for 6-(difluoromethyl)-3-methoxy-5-methylpyridine-2-carbaldehyde is COc1cc(C)c(C(F)F)nc1C=O.
What is the InChIKey of 6-(difluoromethyl)-3-methoxy-5-methylpyridine-2-carbaldehyde?
The InChIKey is ZVHLRGLDNOIHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c1-5-3-7(14-2)6(4-13)12-8(5)9(10)11/h3-4,9H,1-2H3.
What are the key properties of 6-(difluoromethyl)-3-methoxy-5-methylpyridine-2-carbaldehyde?
6-(difluoromethyl)-3-methoxy-5-methylpyridine-2-carbaldehyde has a molecular weight of 201.17 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-methoxy-5-methylpyridine-2-carbaldehyde is sourced from PubChem (CID 118814889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).