deuterioethane;2-ethenyl-3-fluoro-4,5-dimethylpyridine;3-fluoro-4,5-dimethylpyridine-2-carbaldehyde

C19H24F2N2O — CID 159658092

IUPACdeuterioethane;2-ethenyl-3-fluoro-4,5-dimethylpyridine;3-fluoro-4,5-dimethylpyridine-2-carbaldehyde
SMILESC=Cc1ncc(C)c(C)c1F.Cc1cnc(C=O)c(F)c1C.[2H]CC
InChIInChI=1S/C9H10FN.C8H8FNO.C2H6/c1-4-8-9(10)7(3)6(2)5-11-8;1-5-3-10-7(4-11)8(9)6(5)2;1-2/h4-5H,1H2,2-3H3;3-4H,1-2H3;1-2H3/i;;1D
InChIKeyMSKXPKQMBXJTIT-PRQZKWGPSA-N
MW335.42 g/mol
LogP5.16
Rot. Bonds2

About deuterioethane;2-ethenyl-3-fluoro-4,5-dimethylpyridine;3-fluoro-4,5-dimethylpyridine-2-carbaldehyde

deuterioethane;2-ethenyl-3-fluoro-4,5-dimethylpyridine;3-fluoro-4,5-dimethylpyridine-2-carbaldehyde (PubChem CID 159658092) has the molecular formula C19H24F2N2O and a molecular weight of 335.42 g/mol. Its IUPAC name is deuterioethane;2-ethenyl-3-fluoro-4,5-dimethylpyridine;3-fluoro-4,5-dimethylpyridine-2-carbaldehyde.

Molecular Properties

Compound Namedeuterioethane;2-ethenyl-3-fluoro-4,5-dimethylpyridine;3-fluoro-4,5-dimethylpyridine-2-carbaldehyde
PubChem CID159658092
Molecular FormulaC19H24F2N2O
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Namedeuterioethane;2-ethenyl-3-fluoro-4,5-dimethylpyridine;3-fluoro-4,5-dimethylpyridine-2-carbaldehyde
SMILESC=Cc1ncc(C)c(C)c1F.Cc1cnc(C=O)c(F)c1C.[2H]CC
InChIInChI=1S/C9H10FN.C8H8FNO.C2H6/c1-4-8-9(10)7(3)6(2)5-11-8;1-5-3-10-7(4-11)8(9)6(5)2;1-2/h4-5H,1H2,2-3H3;3-4H,1-2H3;1-2H3/i;;1D
InChIKeyMSKXPKQMBXJTIT-PRQZKWGPSA-N
XLogP5.16
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.42
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of deuterioethane;2-ethenyl-3-fluoro-4,5-dimethylpyridine;3-fluoro-4,5-dimethylpyridine-2-carbaldehyde?
The IUPAC name of deuterioethane;2-ethenyl-3-fluoro-4,5-dimethylpyridine;3-fluoro-4,5-dimethylpyridine-2-carbaldehyde (CID 159658092) is deuterioethane;2-ethenyl-3-fluoro-4,5-dimethylpyridine;3-fluoro-4,5-dimethylpyridine-2-carbaldehyde.
What is the SMILES notation for deuterioethane;2-ethenyl-3-fluoro-4,5-dimethylpyridine;3-fluoro-4,5-dimethylpyridine-2-carbaldehyde?
The canonical SMILES for deuterioethane;2-ethenyl-3-fluoro-4,5-dimethylpyridine;3-fluoro-4,5-dimethylpyridine-2-carbaldehyde is C=Cc1ncc(C)c(C)c1F.Cc1cnc(C=O)c(F)c1C.[2H]CC.
What is the InChIKey of deuterioethane;2-ethenyl-3-fluoro-4,5-dimethylpyridine;3-fluoro-4,5-dimethylpyridine-2-carbaldehyde?
The InChIKey is MSKXPKQMBXJTIT-PRQZKWGPSA-N. The full InChI is InChI=1S/C9H10FN.C8H8FNO.C2H6/c1-4-8-9(10)7(3)6(2)5-11-8;1-5-3-10-7(4-11)8(9)6(5)2;1-2/h4-5H,1H2,2-3H3;3-4H,1-2H3;1-2H3/i;;1D.
What are the key properties of deuterioethane;2-ethenyl-3-fluoro-4,5-dimethylpyridine;3-fluoro-4,5-dimethylpyridine-2-carbaldehyde?
deuterioethane;2-ethenyl-3-fluoro-4,5-dimethylpyridine;3-fluoro-4,5-dimethylpyridine-2-carbaldehyde has a molecular weight of 335.42 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for deuterioethane;2-ethenyl-3-fluoro-4,5-dimethylpyridine;3-fluoro-4,5-dimethylpyridine-2-carbaldehyde is sourced from PubChem (CID 159658092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).