3,5,6-trichloro-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridin-2-amine

C15H11Cl3N4 — CID 135716458

IUPAC3,5,6-trichloro-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridin-2-amine
SMILESCc1[nH]c2ccccc2c1/C=N/Nc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H11Cl3N4/c1-8-10(9-4-2-3-5-13(9)20-8)7-19-22-15-12(17)6-11(16)14(18)21-15/h2-7,20H,1H3,(H,21,22)/b19-7+
InChIKeyOSAXYMCQAPOLNX-FBCYGCLPSA-N
MW353.64 g/mol
LogP5.28
Rot. Bonds3

About 3,5,6-trichloro-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridin-2-amine

3,5,6-trichloro-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridin-2-amine (PubChem CID 135716458) has the molecular formula C15H11Cl3N4 and a molecular weight of 353.64 g/mol. Its IUPAC name is 3,5,6-trichloro-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridin-2-amine
PubChem CID135716458
Molecular FormulaC15H11Cl3N4
Molecular Weight353.64 g/mol
Exact Mass352.00
IUPAC Name3,5,6-trichloro-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridin-2-amine
SMILESCc1[nH]c2ccccc2c1/C=N/Nc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H11Cl3N4/c1-8-10(9-4-2-3-5-13(9)20-8)7-19-22-15-12(17)6-11(16)14(18)21-15/h2-7,20H,1H3,(H,21,22)/b19-7+
InChIKeyOSAXYMCQAPOLNX-FBCYGCLPSA-N
XLogP5.28
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.64
LogP ≤ 55.28
H-Bond Donors ≤ 52
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

2-chloro-N-[(2-methyl-1H-indol-3-yl)methylideneamino]aniline
CID 3656134
3,5,6-trichloro-N-[(E)-1H-indol-3-ylmethylideneamino]pyridin-2-amine
CID 135683472
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]methanamine
CID 136786730
4,5-dimethyl-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-amine
CID 136822328
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 135651619
N,4-bis[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,2,4-triazol-3-amine
CID 137045142
4-(3,4-dimethylphenyl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,3-thiazol-2-amine
CID 136781941
3-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1,2,4-triazole-3,4-diamine;dihydrochloride
CID 137153076
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 135699371
1-ethyl-3-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]thiourea
CID 135846336
3-(3,4-dichlorophenyl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 136915483
methyl 4-methyl-2-[(2Z)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate
CID 136822183

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridin-2-amine (CID 135716458) is 3,5,6-trichloro-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridin-2-amine is Cc1[nH]c2ccccc2c1/C=N/Nc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 3,5,6-trichloro-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridin-2-amine?
The InChIKey is OSAXYMCQAPOLNX-FBCYGCLPSA-N. The full InChI is InChI=1S/C15H11Cl3N4/c1-8-10(9-4-2-3-5-13(9)20-8)7-19-22-15-12(17)6-11(16)14(18)21-15/h2-7,20H,1H3,(H,21,22)/b19-7+.
What are the key properties of 3,5,6-trichloro-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridin-2-amine?
3,5,6-trichloro-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridin-2-amine has a molecular weight of 353.64 g/mol, XLogP of 5.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trichloro-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridin-2-amine is sourced from PubChem (CID 135716458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).