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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Related Compounds

(4-Fluorophenyl)(pyridin-4-yl)methanone
CID 7023019
1-Phenyl-2-(4-pyridinyl)ethanone
CID 287104
4-acetamido-N-(pyridin-3-ylmethyl)benzamide
CID 669478
piperidino[4-(1H-pyrrol-1-yl)phenyl]methanone
CID 1472874
1-{4-[2-(4-Pyridinyl)-1-aziranyl]phenyl}-1-ethanone
CID 2765745
4'-Amino-3-(2-pyridyl)acrylophenone
CID 5354064
4-Pyridin-2-ylbenzaldehyde
CID 1515240
4-amino-N-(pyridin-3-yl)benzamide
CID 215946
2-(4-Pyridinyl)benzaldehyde
CID 642850
2-(Pyridin-3-Yl)Benzaldehyde
CID 3857593
1-Phenyl-3-(4-pyridinyl)-2-propen-1-one
CID 5357476
(E)-3-(dimethylamino)-1-[4-(1H-pyrrol-1-yl)phenyl]-2-propen-1-one
CID 5928614

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).