2,4,6-trichloro-N-(1-pyridin-4-ylethylideneamino)aniline

C13H10Cl3N3 — CID 5006880

IUPAC2,4,6-trichloro-N-(1-pyridin-4-ylethylideneamino)aniline
SMILESCC(=NNc1c(Cl)cc(Cl)cc1Cl)c1ccncc1
InChIInChI=1S/C13H10Cl3N3/c1-8(9-2-4-17-5-3-9)18-19-13-11(15)6-10(14)7-12(13)16/h2-7,19H,1H3
InChIKeyOGMOKAVOORRFRO-UHFFFAOYSA-N
MW314.60 g/mol
LogP4.88
Rot. Bonds3

About 2,4,6-trichloro-N-(1-pyridin-4-ylethylideneamino)aniline

2,4,6-trichloro-N-(1-pyridin-4-ylethylideneamino)aniline (PubChem CID 5006880) has the molecular formula C13H10Cl3N3 and a molecular weight of 314.60 g/mol. Its IUPAC name is 2,4,6-trichloro-N-(1-pyridin-4-ylethylideneamino)aniline.

Molecular Properties

Compound Name2,4,6-trichloro-N-(1-pyridin-4-ylethylideneamino)aniline
PubChem CID5006880
Molecular FormulaC13H10Cl3N3
Molecular Weight314.60 g/mol
Exact Mass312.99
IUPAC Name2,4,6-trichloro-N-(1-pyridin-4-ylethylideneamino)aniline
SMILESCC(=NNc1c(Cl)cc(Cl)cc1Cl)c1ccncc1
InChIInChI=1S/C13H10Cl3N3/c1-8(9-2-4-17-5-3-9)18-19-13-11(15)6-10(14)7-12(13)16/h2-7,19H,1H3
InChIKeyOGMOKAVOORRFRO-UHFFFAOYSA-N
XLogP4.88
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.60
LogP ≤ 54.88
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

2,4,6-trichloro-N-[1-(4-chlorophenyl)ethylideneamino]aniline
CID 4291691
2,4,6-trichloro-N-[1-(3,4-dichlorophenyl)ethylideneamino]aniline
CID 3972659
3,5-dichloro-N-[(Z)-1-pyridin-4-ylethylideneamino]pyridin-2-amine
CID 7987811
2-[(Z)-C-methyl-N-(2,4,6-trichloroanilino)carbonimidoyl]phenol
CID 137300721
7-chloro-N-(1-pyridin-4-ylethylideneamino)quinolin-4-amine
CID 4004947
3-fluoro-4-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline
CID 6295470
4-iodo-N-(1-pyridin-4-ylethylideneamino)aniline
CID 72535739
4-bromo-2-[(E)-C-methyl-N-(2,4,6-trichloroanilino)carbonimidoyl]phenol
CID 135445548
2,4,6-trichloro-N-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethylideneamino]aniline
CID 2739557
2,3-dimethyl-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline
CID 6176920
N-(but-3-en-2-ylideneamino)-2,4,6-trichloroaniline
CID 529810
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-4-carboxamide
CID 6941499

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-(1-pyridin-4-ylethylideneamino)aniline?
The IUPAC name of 2,4,6-trichloro-N-(1-pyridin-4-ylethylideneamino)aniline (CID 5006880) is 2,4,6-trichloro-N-(1-pyridin-4-ylethylideneamino)aniline.
What is the SMILES notation for 2,4,6-trichloro-N-(1-pyridin-4-ylethylideneamino)aniline?
The canonical SMILES for 2,4,6-trichloro-N-(1-pyridin-4-ylethylideneamino)aniline is CC(=NNc1c(Cl)cc(Cl)cc1Cl)c1ccncc1.
What is the InChIKey of 2,4,6-trichloro-N-(1-pyridin-4-ylethylideneamino)aniline?
The InChIKey is OGMOKAVOORRFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3N3/c1-8(9-2-4-17-5-3-9)18-19-13-11(15)6-10(14)7-12(13)16/h2-7,19H,1H3.
What are the key properties of 2,4,6-trichloro-N-(1-pyridin-4-ylethylideneamino)aniline?
2,4,6-trichloro-N-(1-pyridin-4-ylethylideneamino)aniline has a molecular weight of 314.60 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-(1-pyridin-4-ylethylideneamino)aniline is sourced from PubChem (CID 5006880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).