3-chloro-4-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]aniline

C13H11ClFN3 — CID 7350198

IUPAC3-chloro-4-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]aniline
SMILESC/C(=N\Nc1ccc(F)c(Cl)c1)c1ccccn1
InChIInChI=1S/C13H11ClFN3/c1-9(13-4-2-3-7-16-13)17-18-10-5-6-12(15)11(14)8-10/h2-8,18H,1H3/b17-9+
InChIKeyPALMAEZEWMTIFA-RQZCQDPDSA-N
MW263.70 g/mol
LogP3.71
Rot. Bonds3

About 3-chloro-4-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]aniline

3-chloro-4-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]aniline (PubChem CID 7350198) has the molecular formula C13H11ClFN3 and a molecular weight of 263.70 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]aniline.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]aniline
PubChem CID7350198
Molecular FormulaC13H11ClFN3
Molecular Weight263.70 g/mol
Exact Mass263.06
IUPAC Name3-chloro-4-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]aniline
SMILESC/C(=N\Nc1ccc(F)c(Cl)c1)c1ccccn1
InChIInChI=1S/C13H11ClFN3/c1-9(13-4-2-3-7-16-13)17-18-10-5-6-12(15)11(14)8-10/h2-8,18H,1H3/b17-9+
InChIKeyPALMAEZEWMTIFA-RQZCQDPDSA-N
XLogP3.71
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 53.71
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

4-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzenesulfonamide
CID 6256280
4-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoate
CID 7744968
4-chloro-3-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoic acid
CID 8973589
N-(3-chloro-4-fluorophenyl)pyridin-2-amine
CID 28829534
3-chloro-4-fluoro-N-(1-pyridin-2-ylethyl)aniline
CID 43119234
N-(4-chlorophenyl)-1-pyridin-2-ylethanimine
CID 15815211
5-chloro-2-hydroxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 5416440
N-[(Z)-1-(2,6-dichloro-3-fluorophenyl)ethylideneamino]pyridine-2-carboxamide
CID 8971589
3,4-dichloro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 773914
N-(4-chlorophenyl)-5-nitro-2-[2-(1-pyridin-2-ylethylidene)hydrazinyl]benzenesulfonamide
CID 4050583
4-chloro-N-[(Z)-1-(2-fluorophenyl)ethylideneamino]aniline
CID 7937205
(1-pyridin-2-ylethylideneamino)carbamodithioic acid
CID 71331582

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]aniline?
The IUPAC name of 3-chloro-4-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]aniline (CID 7350198) is 3-chloro-4-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]aniline.
What is the SMILES notation for 3-chloro-4-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]aniline?
The canonical SMILES for 3-chloro-4-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]aniline is C/C(=N\Nc1ccc(F)c(Cl)c1)c1ccccn1.
What is the InChIKey of 3-chloro-4-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]aniline?
The InChIKey is PALMAEZEWMTIFA-RQZCQDPDSA-N. The full InChI is InChI=1S/C13H11ClFN3/c1-9(13-4-2-3-7-16-13)17-18-10-5-6-12(15)11(14)8-10/h2-8,18H,1H3/b17-9+.
What are the key properties of 3-chloro-4-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]aniline?
3-chloro-4-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]aniline has a molecular weight of 263.70 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]aniline is sourced from PubChem (CID 7350198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).