3,5,6-trichloro-N-[(3,5-dimethoxyphenyl)methylideneamino]pyridin-2-amine

C14H12Cl3N3O2 — CID 4237377

IUPAC3,5,6-trichloro-N-[(3,5-dimethoxyphenyl)methylideneamino]pyridin-2-amine
SMILESCOc1cc(C=NNc2nc(Cl)c(Cl)cc2Cl)cc(OC)c1
InChIInChI=1S/C14H12Cl3N3O2/c1-21-9-3-8(4-10(5-9)22-2)7-18-20-14-12(16)6-11(15)13(17)19-14/h3-7H,1-2H3,(H,19,20)
InChIKeyIPCMYHSTZQAUHI-UHFFFAOYSA-N
MW360.63 g/mol
LogP4.51
Rot. Bonds5

About 3,5,6-trichloro-N-[(3,5-dimethoxyphenyl)methylideneamino]pyridin-2-amine

3,5,6-trichloro-N-[(3,5-dimethoxyphenyl)methylideneamino]pyridin-2-amine (PubChem CID 4237377) has the molecular formula C14H12Cl3N3O2 and a molecular weight of 360.63 g/mol. Its IUPAC name is 3,5,6-trichloro-N-[(3,5-dimethoxyphenyl)methylideneamino]pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-[(3,5-dimethoxyphenyl)methylideneamino]pyridin-2-amine
PubChem CID4237377
Molecular FormulaC14H12Cl3N3O2
Molecular Weight360.63 g/mol
Exact Mass359.00
IUPAC Name3,5,6-trichloro-N-[(3,5-dimethoxyphenyl)methylideneamino]pyridin-2-amine
SMILESCOc1cc(C=NNc2nc(Cl)c(Cl)cc2Cl)cc(OC)c1
InChIInChI=1S/C14H12Cl3N3O2/c1-21-9-3-8(4-10(5-9)22-2)7-18-20-14-12(16)6-11(15)13(17)19-14/h3-7H,1-2H3,(H,19,20)
InChIKeyIPCMYHSTZQAUHI-UHFFFAOYSA-N
XLogP4.51
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.63
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[(3,5,6-trichloro-2-pyridinyl)hydrazinylidene]methyl]benzoate
CID 4002344
3,5,6-trichloro-N-[(4-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine
CID 5207019
3,5,6-trichloro-N-(4-methoxyphenyl)pyridin-2-amine
CID 102749971
3,4-dichloro-N-[(4-methoxyphenyl)methylideneamino]aniline
CID 110840444
4-chloro-N-[(Z)-(4-methoxyphenyl)methylideneamino]phthalazin-1-amine
CID 5409694
3,5,6-trichloro-N-(cinnamylideneamino)pyridin-2-amine
CID 3908635
3,5,6-trichloro-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridin-2-amine
CID 135716458
N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methoxyaniline
CID 110509009
3,5,6-trichloro-N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylideneamino]pyridin-2-amine
CID 3317374
3,5,6-trichloro-N-[(E)-1H-indol-3-ylmethylideneamino]pyridin-2-amine
CID 135683472
N-[(3,5-dimethoxyphenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 2848777
N-[(3,5-dimethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576843

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-[(3,5-dimethoxyphenyl)methylideneamino]pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-[(3,5-dimethoxyphenyl)methylideneamino]pyridin-2-amine (CID 4237377) is 3,5,6-trichloro-N-[(3,5-dimethoxyphenyl)methylideneamino]pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-[(3,5-dimethoxyphenyl)methylideneamino]pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-[(3,5-dimethoxyphenyl)methylideneamino]pyridin-2-amine is COc1cc(C=NNc2nc(Cl)c(Cl)cc2Cl)cc(OC)c1.
What is the InChIKey of 3,5,6-trichloro-N-[(3,5-dimethoxyphenyl)methylideneamino]pyridin-2-amine?
The InChIKey is IPCMYHSTZQAUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3N3O2/c1-21-9-3-8(4-10(5-9)22-2)7-18-20-14-12(16)6-11(15)13(17)19-14/h3-7H,1-2H3,(H,19,20).
What are the key properties of 3,5,6-trichloro-N-[(3,5-dimethoxyphenyl)methylideneamino]pyridin-2-amine?
3,5,6-trichloro-N-[(3,5-dimethoxyphenyl)methylideneamino]pyridin-2-amine has a molecular weight of 360.63 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trichloro-N-[(3,5-dimethoxyphenyl)methylideneamino]pyridin-2-amine is sourced from PubChem (CID 4237377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).