3,5-dichloro-N-[(2,6-dichlorophenyl)methylideneamino]pyridin-4-amine

C12H7Cl4N3 — CID 2726346

IUPAC3,5-dichloro-N-[(2,6-dichlorophenyl)methylideneamino]pyridin-4-amine
SMILESClc1cccc(Cl)c1C=NNc1c(Cl)cncc1Cl
InChIInChI=1S/C12H7Cl4N3/c13-8-2-1-3-9(14)7(8)4-18-19-12-10(15)5-17-6-11(12)16/h1-6H,(H,17,19)
InChIKeyNRQUAVYOAZGFFD-UHFFFAOYSA-N
MW335.02 g/mol
LogP5.14
Rot. Bonds3

About 3,5-dichloro-N-[(2,6-dichlorophenyl)methylideneamino]pyridin-4-amine

3,5-dichloro-N-[(2,6-dichlorophenyl)methylideneamino]pyridin-4-amine (PubChem CID 2726346) has the molecular formula C12H7Cl4N3 and a molecular weight of 335.02 g/mol. Its IUPAC name is 3,5-dichloro-N-[(2,6-dichlorophenyl)methylideneamino]pyridin-4-amine.

Molecular Properties

Compound Name3,5-dichloro-N-[(2,6-dichlorophenyl)methylideneamino]pyridin-4-amine
PubChem CID2726346
Molecular FormulaC12H7Cl4N3
Molecular Weight335.02 g/mol
Exact Mass332.94
IUPAC Name3,5-dichloro-N-[(2,6-dichlorophenyl)methylideneamino]pyridin-4-amine
SMILESClc1cccc(Cl)c1C=NNc1c(Cl)cncc1Cl
InChIInChI=1S/C12H7Cl4N3/c13-8-2-1-3-9(14)7(8)4-18-19-12-10(15)5-17-6-11(12)16/h1-6H,(H,17,19)
InChIKeyNRQUAVYOAZGFFD-UHFFFAOYSA-N
XLogP5.14
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.02
LogP ≤ 55.14
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-[(E)-(2,6-dichlorophenyl)methylideneamino]acridin-9-amine
CID 14089332
3,5-dichloro-N-[(3-phenoxyphenyl)methylideneamino]pyridin-4-amine
CID 3929502
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine chloride
CID 21179402
3-N-[(2,6-dichlorophenyl)methylideneamino]-1,2,5-oxadiazole-3,4-diamine
CID 3107803
N-[(2,6-dichlorophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 2790075
5-chloro-4-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 7745615
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]acridin-9-amine
CID 44715022
2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135693146
N-[(2,6-dichlorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 146217277
3-[2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135447264
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxalin-2-amine
CID 6052706
3-N-[(2,6-dichlorophenyl)methylideneamino]-4-N,4-N-dimethyl-1,2,4-triazole-3,4-diamine
CID 70617134

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(2,6-dichlorophenyl)methylideneamino]pyridin-4-amine?
The IUPAC name of 3,5-dichloro-N-[(2,6-dichlorophenyl)methylideneamino]pyridin-4-amine (CID 2726346) is 3,5-dichloro-N-[(2,6-dichlorophenyl)methylideneamino]pyridin-4-amine.
What is the SMILES notation for 3,5-dichloro-N-[(2,6-dichlorophenyl)methylideneamino]pyridin-4-amine?
The canonical SMILES for 3,5-dichloro-N-[(2,6-dichlorophenyl)methylideneamino]pyridin-4-amine is Clc1cccc(Cl)c1C=NNc1c(Cl)cncc1Cl.
What is the InChIKey of 3,5-dichloro-N-[(2,6-dichlorophenyl)methylideneamino]pyridin-4-amine?
The InChIKey is NRQUAVYOAZGFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl4N3/c13-8-2-1-3-9(14)7(8)4-18-19-12-10(15)5-17-6-11(12)16/h1-6H,(H,17,19).
What are the key properties of 3,5-dichloro-N-[(2,6-dichlorophenyl)methylideneamino]pyridin-4-amine?
3,5-dichloro-N-[(2,6-dichlorophenyl)methylideneamino]pyridin-4-amine has a molecular weight of 335.02 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(2,6-dichlorophenyl)methylideneamino]pyridin-4-amine is sourced from PubChem (CID 2726346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).