2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carbaldehyde

C8H6F3NO2 — CID 118808991

IUPAC2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carbaldehyde
SMILESCOc1cc(C=O)c(F)c(C(F)F)n1
InChIInChI=1S/C8H6F3NO2/c1-14-5-2-4(3-13)6(9)7(12-5)8(10)11/h2-3,8H,1H3
InChIKeyJMZDLNIDRNTUBH-UHFFFAOYSA-N
MW205.13 g/mol
LogP1.98
Rot. Bonds3

About 2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carbaldehyde

2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carbaldehyde (PubChem CID 118808991) has the molecular formula C8H6F3NO2 and a molecular weight of 205.13 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carbaldehyde
PubChem CID118808991
Molecular FormulaC8H6F3NO2
Molecular Weight205.13 g/mol
Exact Mass205.04
IUPAC Name2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carbaldehyde
SMILESCOc1cc(C=O)c(F)c(C(F)F)n1
InChIInChI=1S/C8H6F3NO2/c1-14-5-2-4(3-13)6(9)7(12-5)8(10)11/h2-3,8H,1H3
InChIKeyJMZDLNIDRNTUBH-UHFFFAOYSA-N
XLogP1.98
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.13
LogP ≤ 51.98
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-chloro-2-(difluoromethyl)-6-methoxypyridine-4-carbaldehyde
CID 130073917
3-(difluoromethyl)-6-methoxy-2-methylpyridine-4-carbaldehyde
CID 130087961
2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carboxylic acid
CID 118809146
2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine-4-carbaldehyde
CID 118848647
2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carboxamide
CID 118803355
2-(difluoromethyl)-3-methyl-6-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 118831628
7,8-difluoro-2-methoxyquinoline-4-carbaldehyde
CID 46835261
4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbaldehyde
CID 118812855
2-(difluoromethyl)-3-iodo-6-methoxypyridin-4-amine
CID 118840612
2-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbaldehyde
CID 130085753
2-(difluoromethyl)-3-iodo-6-methoxypyridine-4-carboxamide
CID 118837244
4-chloro-2-(difluoromethyl)-3,6-dimethoxypyridine
CID 118811368

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carbaldehyde?
The IUPAC name of 2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carbaldehyde (CID 118808991) is 2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carbaldehyde.
What is the SMILES notation for 2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carbaldehyde?
The canonical SMILES for 2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carbaldehyde is COc1cc(C=O)c(F)c(C(F)F)n1.
What is the InChIKey of 2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carbaldehyde?
The InChIKey is JMZDLNIDRNTUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO2/c1-14-5-2-4(3-13)6(9)7(12-5)8(10)11/h2-3,8H,1H3.
What are the key properties of 2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carbaldehyde?
2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carbaldehyde has a molecular weight of 205.13 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carbaldehyde is sourced from PubChem (CID 118808991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).