3-fluoro-5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)benzaldehyde

C13H14FNO — CID 106315144

IUPAC3-fluoro-5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)benzaldehyde
SMILESCC1=CCCN(c2cc(F)cc(C=O)c2)C1
InChIInChI=1S/C13H14FNO/c1-10-3-2-4-15(8-10)13-6-11(9-16)5-12(14)7-13/h3,5-7,9H,2,4,8H2,1H3
InChIKeyCOWYXWVUHPLPNE-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.79
Rot. Bonds2

About 3-fluoro-5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)benzaldehyde

3-fluoro-5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)benzaldehyde (PubChem CID 106315144) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is 3-fluoro-5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)benzaldehyde.

Molecular Properties

Compound Name3-fluoro-5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)benzaldehyde
PubChem CID106315144
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name3-fluoro-5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)benzaldehyde
SMILESCC1=CCCN(c2cc(F)cc(C=O)c2)C1
InChIInChI=1S/C13H14FNO/c1-10-3-2-4-15(8-10)13-6-11(9-16)5-12(14)7-13/h3,5-7,9H,2,4,8H2,1H3
InChIKeyCOWYXWVUHPLPNE-UHFFFAOYSA-N
XLogP2.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)benzaldehyde?
The IUPAC name of 3-fluoro-5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)benzaldehyde (CID 106315144) is 3-fluoro-5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)benzaldehyde.
What is the SMILES notation for 3-fluoro-5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)benzaldehyde?
The canonical SMILES for 3-fluoro-5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)benzaldehyde is CC1=CCCN(c2cc(F)cc(C=O)c2)C1.
What is the InChIKey of 3-fluoro-5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)benzaldehyde?
The InChIKey is COWYXWVUHPLPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c1-10-3-2-4-15(8-10)13-6-11(9-16)5-12(14)7-13/h3,5-7,9H,2,4,8H2,1H3.
What are the key properties of 3-fluoro-5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)benzaldehyde?
3-fluoro-5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)benzaldehyde has a molecular weight of 219.26 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)benzaldehyde is sourced from PubChem (CID 106315144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).