3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde

C14H11F2NO2 — CID 105403665

IUPAC3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde
SMILESCc1ccc(OCc2cc(F)cc(F)c2)c(C=O)n1
InChIInChI=1S/C14H11F2NO2/c1-9-2-3-14(13(7-18)17-9)19-8-10-4-11(15)6-12(16)5-10/h2-7H,8H2,1H3
InChIKeyVYVCUMBUENNQSE-UHFFFAOYSA-N
MW263.24 g/mol
LogP3.06
Rot. Bonds4

About 3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde

3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde (PubChem CID 105403665) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is 3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde
PubChem CID105403665
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Name3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde
SMILESCc1ccc(OCc2cc(F)cc(F)c2)c(C=O)n1
InChIInChI=1S/C14H11F2NO2/c1-9-2-3-14(13(7-18)17-9)19-8-10-4-11(15)6-12(16)5-10/h2-7H,8H2,1H3
InChIKeyVYVCUMBUENNQSE-UHFFFAOYSA-N
XLogP3.06
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 53.06
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-[(3-fluoro-5-nitrophenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 115980652
3-[(2-chloro-4-fluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 78929205
6-methyl-3-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbaldehyde
CID 78929099
3-[(3-methoxyphenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 78929137
2-(chloromethyl)-3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine
CID 105404335
6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]pyridine-2-carbaldehyde
CID 79267439
6-methyl-3-[(3-nitrophenyl)methoxy]pyridine-2-carbaldehyde
CID 78929256
3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 79158515
N-(4-fluorophenyl)-2-[(2-formyl-6-methyl-3-pyridinyl)oxy]acetamide
CID 78929091
3-[(2-methoxyphenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 78929164
6-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridine-2-carbaldehyde
CID 79035489
2-[(3-bromo-5-fluorophenyl)methoxy]-5-methylbenzaldehyde
CID 79705645

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde?
The IUPAC name of 3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde (CID 105403665) is 3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde.
What is the SMILES notation for 3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde?
The canonical SMILES for 3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde is Cc1ccc(OCc2cc(F)cc(F)c2)c(C=O)n1.
What is the InChIKey of 3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde?
The InChIKey is VYVCUMBUENNQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2/c1-9-2-3-14(13(7-18)17-9)19-8-10-4-11(15)6-12(16)5-10/h2-7H,8H2,1H3.
What are the key properties of 3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde?
3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde has a molecular weight of 263.24 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde is sourced from PubChem (CID 105403665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).