3-(difluoromethyl)-6-methoxy-2-methylpyridine-4-carbaldehyde

C9H9F2NO2 — CID 130087961

IUPAC3-(difluoromethyl)-6-methoxy-2-methylpyridine-4-carbaldehyde
SMILESCOc1cc(C=O)c(C(F)F)c(C)n1
InChIInChI=1S/C9H9F2NO2/c1-5-8(9(10)11)6(4-13)3-7(12-5)14-2/h3-4,9H,1-2H3
InChIKeyKUISYIIZOFRPPM-UHFFFAOYSA-N
MW201.17 g/mol
LogP2.15
Rot. Bonds3

About 3-(difluoromethyl)-6-methoxy-2-methylpyridine-4-carbaldehyde

3-(difluoromethyl)-6-methoxy-2-methylpyridine-4-carbaldehyde (PubChem CID 130087961) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-methoxy-2-methylpyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-(difluoromethyl)-6-methoxy-2-methylpyridine-4-carbaldehyde
PubChem CID130087961
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Name3-(difluoromethyl)-6-methoxy-2-methylpyridine-4-carbaldehyde
SMILESCOc1cc(C=O)c(C(F)F)c(C)n1
InChIInChI=1S/C9H9F2NO2/c1-5-8(9(10)11)6(4-13)3-7(12-5)14-2/h3-4,9H,1-2H3
InChIKeyKUISYIIZOFRPPM-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

3-bromo-6-methoxy-2-methylpyridine-4-carbaldehyde
CID 126673304
2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carbaldehyde
CID 118808991
3-chloro-2-(difluoromethyl)-6-methoxypyridine-4-carbaldehyde
CID 130073917
4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbaldehyde
CID 118812855
2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbaldehyde
CID 119005034
7,8-difluoro-2-methoxyquinoline-4-carbaldehyde
CID 46835261
5-(difluoromethyl)-2,6-dimethylpyridine-3-carbaldehyde
CID 130101411
6-methoxy-2,4-dimethyl-3-propan-2-ylpyridine
CID 89494847
4-(difluoromethyl)-6-methoxy-2-methylpyridin-3-amine
CID 130105832
2-amino-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde
CID 119020523
3-(difluoromethyl)-2,4-difluoro-6-methoxypyridine
CID 130099661
N-(6-methoxy-2,4-dimethyl-3-pyridinyl)formamide
CID 176936820

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-methoxy-2-methylpyridine-4-carbaldehyde?
The IUPAC name of 3-(difluoromethyl)-6-methoxy-2-methylpyridine-4-carbaldehyde (CID 130087961) is 3-(difluoromethyl)-6-methoxy-2-methylpyridine-4-carbaldehyde.
What is the SMILES notation for 3-(difluoromethyl)-6-methoxy-2-methylpyridine-4-carbaldehyde?
The canonical SMILES for 3-(difluoromethyl)-6-methoxy-2-methylpyridine-4-carbaldehyde is COc1cc(C=O)c(C(F)F)c(C)n1.
What is the InChIKey of 3-(difluoromethyl)-6-methoxy-2-methylpyridine-4-carbaldehyde?
The InChIKey is KUISYIIZOFRPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c1-5-8(9(10)11)6(4-13)3-7(12-5)14-2/h3-4,9H,1-2H3.
What are the key properties of 3-(difluoromethyl)-6-methoxy-2-methylpyridine-4-carbaldehyde?
3-(difluoromethyl)-6-methoxy-2-methylpyridine-4-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 3-(difluoromethyl)-6-methoxy-2-methylpyridine-4-carbaldehyde is sourced from PubChem (CID 130087961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).