4-[ethyl(pyridin-4-ylmethyl)amino]-3,5-difluorobenzaldehyde

C15H14F2N2O — CID 63052408

IUPAC4-[ethyl(pyridin-4-ylmethyl)amino]-3,5-difluorobenzaldehyde
SMILESCCN(Cc1ccncc1)c1c(F)cc(C=O)cc1F
InChIInChI=1S/C15H14F2N2O/c1-2-19(9-11-3-5-18-6-4-11)15-13(16)7-12(10-20)8-14(15)17/h3-8,10H,2,9H2,1H3
InChIKeyJZSXKZKWNPVZGG-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.20
Rot. Bonds5

About 4-[ethyl(pyridin-4-ylmethyl)amino]-3,5-difluorobenzaldehyde

4-[ethyl(pyridin-4-ylmethyl)amino]-3,5-difluorobenzaldehyde (PubChem CID 63052408) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-[ethyl(pyridin-4-ylmethyl)amino]-3,5-difluorobenzaldehyde.

Molecular Properties

Compound Name4-[ethyl(pyridin-4-ylmethyl)amino]-3,5-difluorobenzaldehyde
PubChem CID63052408
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name4-[ethyl(pyridin-4-ylmethyl)amino]-3,5-difluorobenzaldehyde
SMILESCCN(Cc1ccncc1)c1c(F)cc(C=O)cc1F
InChIInChI=1S/C15H14F2N2O/c1-2-19(9-11-3-5-18-6-4-11)15-13(16)7-12(10-20)8-14(15)17/h3-8,10H,2,9H2,1H3
InChIKeyJZSXKZKWNPVZGG-UHFFFAOYSA-N
XLogP3.20
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.20
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 4-[ethyl(pyridin-4-ylmethyl)amino]-3,5-difluorobenzaldehyde?
The IUPAC name of 4-[ethyl(pyridin-4-ylmethyl)amino]-3,5-difluorobenzaldehyde (CID 63052408) is 4-[ethyl(pyridin-4-ylmethyl)amino]-3,5-difluorobenzaldehyde.
What is the SMILES notation for 4-[ethyl(pyridin-4-ylmethyl)amino]-3,5-difluorobenzaldehyde?
The canonical SMILES for 4-[ethyl(pyridin-4-ylmethyl)amino]-3,5-difluorobenzaldehyde is CCN(Cc1ccncc1)c1c(F)cc(C=O)cc1F.
What is the InChIKey of 4-[ethyl(pyridin-4-ylmethyl)amino]-3,5-difluorobenzaldehyde?
The InChIKey is JZSXKZKWNPVZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c1-2-19(9-11-3-5-18-6-4-11)15-13(16)7-12(10-20)8-14(15)17/h3-8,10H,2,9H2,1H3.
What are the key properties of 4-[ethyl(pyridin-4-ylmethyl)amino]-3,5-difluorobenzaldehyde?
4-[ethyl(pyridin-4-ylmethyl)amino]-3,5-difluorobenzaldehyde has a molecular weight of 276.29 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(pyridin-4-ylmethyl)amino]-3,5-difluorobenzaldehyde is sourced from PubChem (CID 63052408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).