2,4-difluoro-N-(pyridin-3-ylmethylideneamino)aniline

C12H9F2N3 — CID 3482722

IUPAC2,4-difluoro-N-(pyridin-3-ylmethylideneamino)aniline
SMILESFc1ccc(NN=Cc2cccnc2)c(F)c1
InChIInChI=1S/C12H9F2N3/c13-10-3-4-12(11(14)6-10)17-16-8-9-2-1-5-15-7-9/h1-8,17H
InChIKeyDIJQLFUUDNHTBF-UHFFFAOYSA-N
MW233.22 g/mol
LogP2.81
Rot. Bonds3

About 2,4-difluoro-N-(pyridin-3-ylmethylideneamino)aniline

2,4-difluoro-N-(pyridin-3-ylmethylideneamino)aniline (PubChem CID 3482722) has the molecular formula C12H9F2N3 and a molecular weight of 233.22 g/mol. Its IUPAC name is 2,4-difluoro-N-(pyridin-3-ylmethylideneamino)aniline.

Molecular Properties

Compound Name2,4-difluoro-N-(pyridin-3-ylmethylideneamino)aniline
PubChem CID3482722
Molecular FormulaC12H9F2N3
Molecular Weight233.22 g/mol
Exact Mass233.08
IUPAC Name2,4-difluoro-N-(pyridin-3-ylmethylideneamino)aniline
SMILESFc1ccc(NN=Cc2cccnc2)c(F)c1
InChIInChI=1S/C12H9F2N3/c13-10-3-4-12(11(14)6-10)17-16-8-9-2-1-5-15-7-9/h1-8,17H
InChIKeyDIJQLFUUDNHTBF-UHFFFAOYSA-N
XLogP2.81
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chlorophenyl)methylideneamino]-2,4-difluoroaniline
CID 5195808
N-[(4-bromophenyl)methylideneamino]-2,4-difluoroaniline
CID 4218945
N-[(Z)-pyridin-3-ylmethylideneamino]aniline
CID 5375484
(E)-N-(2,4-difluorophenyl)-3-pyridin-3-ylprop-2-enamide
CID 47148193
2,6-dibromo-4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol
CID 135548670
4-methyl-N-(pyridin-3-ylmethylideneamino)aniline
CID 5175441
2,4-difluoro-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]aniline
CID 6903041
N-[(E)-pyridin-3-ylmethylideneamino]pyridazin-3-amine
CID 167776981
N-[(Z)-(2,4-dichloropyrimidin-5-yl)methylideneamino]-2,4-difluoroaniline
CID 176675526
4-chloro-3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid
CID 8973444
5-[[(2,4-difluorophenyl)hydrazinylidene]methyl]-2-methoxyphenol
CID 4654960
N-[(E)-(3-fluorophenyl)methylideneamino]quinolin-8-amine
CID 19164942

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(pyridin-3-ylmethylideneamino)aniline?
The IUPAC name of 2,4-difluoro-N-(pyridin-3-ylmethylideneamino)aniline (CID 3482722) is 2,4-difluoro-N-(pyridin-3-ylmethylideneamino)aniline.
What is the SMILES notation for 2,4-difluoro-N-(pyridin-3-ylmethylideneamino)aniline?
The canonical SMILES for 2,4-difluoro-N-(pyridin-3-ylmethylideneamino)aniline is Fc1ccc(NN=Cc2cccnc2)c(F)c1.
What is the InChIKey of 2,4-difluoro-N-(pyridin-3-ylmethylideneamino)aniline?
The InChIKey is DIJQLFUUDNHTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3/c13-10-3-4-12(11(14)6-10)17-16-8-9-2-1-5-15-7-9/h1-8,17H.
What are the key properties of 2,4-difluoro-N-(pyridin-3-ylmethylideneamino)aniline?
2,4-difluoro-N-(pyridin-3-ylmethylideneamino)aniline has a molecular weight of 233.22 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(pyridin-3-ylmethylideneamino)aniline is sourced from PubChem (CID 3482722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).