4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3,5-difluorobenzaldehyde

C14H11F2NOS — CID 102926059

IUPAC4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3,5-difluorobenzaldehyde
SMILESCc1cc(C)nc(Sc2c(F)cc(C=O)cc2F)c1
InChIInChI=1S/C14H11F2NOS/c1-8-3-9(2)17-13(4-8)19-14-11(15)5-10(7-18)6-12(14)16/h3-7H,1-2H3
InChIKeyADBAPYDVINLWGV-UHFFFAOYSA-N
MW279.31 g/mol
LogP3.94
Rot. Bonds3

About 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3,5-difluorobenzaldehyde

4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3,5-difluorobenzaldehyde (PubChem CID 102926059) has the molecular formula C14H11F2NOS and a molecular weight of 279.31 g/mol. Its IUPAC name is 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3,5-difluorobenzaldehyde.

Molecular Properties

Compound Name4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3,5-difluorobenzaldehyde
PubChem CID102926059
Molecular FormulaC14H11F2NOS
Molecular Weight279.31 g/mol
Exact Mass279.05
IUPAC Name4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3,5-difluorobenzaldehyde
SMILESCc1cc(C)nc(Sc2c(F)cc(C=O)cc2F)c1
InChIInChI=1S/C14H11F2NOS/c1-8-3-9(2)17-13(4-8)19-14-11(15)5-10(7-18)6-12(14)16/h3-7H,1-2H3
InChIKeyADBAPYDVINLWGV-UHFFFAOYSA-N
XLogP3.94
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 53.94
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

1-[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3,5-difluorophenyl]propan-2-amine
CID 102926264
3,5-difluoro-4-pyridin-2-ylsulfanylbenzaldehyde
CID 63803191
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]benzaldehyde
CID 102926074
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]benzoic acid
CID 102924507
4-(4-bromophenyl)sulfanyl-3,5-difluorobenzaldehyde
CID 63801691
(1S)-1-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-fluoro-4-methylphenyl]ethanol
CID 102926203
4-(1,3-benzothiazol-2-ylsulfanyl)-3,5-difluorobenzaldehyde
CID 63802848
4-chloro-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylaniline
CID 112740978
1-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-fluorophenyl]-N-methylethanamine
CID 102925158
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine
CID 102924478
3,5-difluoro-4-(3-methoxyphenyl)sulfanylbenzaldehyde
CID 63802183
N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]ethanamine
CID 102926128

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3,5-difluorobenzaldehyde?
The IUPAC name of 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3,5-difluorobenzaldehyde (CID 102926059) is 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3,5-difluorobenzaldehyde.
What is the SMILES notation for 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3,5-difluorobenzaldehyde?
The canonical SMILES for 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3,5-difluorobenzaldehyde is Cc1cc(C)nc(Sc2c(F)cc(C=O)cc2F)c1.
What is the InChIKey of 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3,5-difluorobenzaldehyde?
The InChIKey is ADBAPYDVINLWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NOS/c1-8-3-9(2)17-13(4-8)19-14-11(15)5-10(7-18)6-12(14)16/h3-7H,1-2H3.
What are the key properties of 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3,5-difluorobenzaldehyde?
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3,5-difluorobenzaldehyde has a molecular weight of 279.31 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3,5-difluorobenzaldehyde is sourced from PubChem (CID 102926059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).