3,5,6-trichloro-N-(cinnamylideneamino)pyridin-2-amine

C14H10Cl3N3 — CID 3908635

IUPAC3,5,6-trichloro-N-(cinnamylideneamino)pyridin-2-amine
SMILESClc1cc(Cl)c(NN=CC=Cc2ccccc2)nc1Cl
InChIInChI=1S/C14H10Cl3N3/c15-11-9-12(16)14(19-13(11)17)20-18-8-4-7-10-5-2-1-3-6-10/h1-9H,(H,19,20)
InChIKeyGENPPOVEFWHCPM-UHFFFAOYSA-N
MW326.61 g/mol
LogP5.15
Rot. Bonds4

About 3,5,6-trichloro-N-(cinnamylideneamino)pyridin-2-amine

3,5,6-trichloro-N-(cinnamylideneamino)pyridin-2-amine (PubChem CID 3908635) has the molecular formula C14H10Cl3N3 and a molecular weight of 326.61 g/mol. Its IUPAC name is 3,5,6-trichloro-N-(cinnamylideneamino)pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-(cinnamylideneamino)pyridin-2-amine
PubChem CID3908635
Molecular FormulaC14H10Cl3N3
Molecular Weight326.61 g/mol
Exact Mass324.99
IUPAC Name3,5,6-trichloro-N-(cinnamylideneamino)pyridin-2-amine
SMILESClc1cc(Cl)c(NN=CC=Cc2ccccc2)nc1Cl
InChIInChI=1S/C14H10Cl3N3/c15-11-9-12(16)14(19-13(11)17)20-18-8-4-7-10-5-2-1-3-6-10/h1-9H,(H,19,20)
InChIKeyGENPPOVEFWHCPM-UHFFFAOYSA-N
XLogP5.15
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.61
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]-1-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]phthalazine-1,4-diamine
CID 92534193
3,5,6-trichloro-N-[(4-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine
CID 5207019
4-(4-chlorophenyl)-5-phenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine
CID 93005804
N-(cinnamylideneamino)-4,5-diphenyl-1,3-thiazol-2-amine
CID 73204472
3,5,6-trichloro-N-[(E)-1H-indol-3-ylmethylideneamino]pyridin-2-amine
CID 135683472
3,5,6-trichloro-N-[(3,5-dimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 4237377
3,5,6-trichloro-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridin-2-amine
CID 135716458
5-chloro-4-(2-cinnamylidenehydrazinyl)-1H-pyridazin-6-one
CID 3253197
N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2H-tetrazol-5-amine
CID 6894212
2,4-difluoro-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]aniline
CID 6903041
methyl 4-[[(3,5,6-trichloro-2-pyridinyl)hydrazinylidene]methyl]benzoate
CID 4002344
4-chloro-N-[3-(4-chlorophenyl)prop-2-enylideneamino]aniline
CID 171783566

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-(cinnamylideneamino)pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-(cinnamylideneamino)pyridin-2-amine (CID 3908635) is 3,5,6-trichloro-N-(cinnamylideneamino)pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-(cinnamylideneamino)pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-(cinnamylideneamino)pyridin-2-amine is Clc1cc(Cl)c(NN=CC=Cc2ccccc2)nc1Cl.
What is the InChIKey of 3,5,6-trichloro-N-(cinnamylideneamino)pyridin-2-amine?
The InChIKey is GENPPOVEFWHCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3N3/c15-11-9-12(16)14(19-13(11)17)20-18-8-4-7-10-5-2-1-3-6-10/h1-9H,(H,19,20).
What are the key properties of 3,5,6-trichloro-N-(cinnamylideneamino)pyridin-2-amine?
3,5,6-trichloro-N-(cinnamylideneamino)pyridin-2-amine has a molecular weight of 326.61 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trichloro-N-(cinnamylideneamino)pyridin-2-amine is sourced from PubChem (CID 3908635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).