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

C14H9Cl3N4 — CID 135683472

IUPAC3,5,6-trichloro-N-[(E)-1H-indol-3-ylmethylideneamino]pyridin-2-amine
SMILESClc1cc(Cl)c(N/N=C/c2c[nH]c3ccccc23)nc1Cl
InChIInChI=1S/C14H9Cl3N4/c15-10-5-11(16)14(20-13(10)17)21-19-7-8-6-18-12-4-2-1-3-9(8)12/h1-7,18H,(H,20,21)/b19-7+
InChIKeyIIFBMSWTXRSCSR-FBCYGCLPSA-N
MW339.61 g/mol
LogP4.97
Rot. Bonds3

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

3,5,6-trichloro-N-[(E)-1H-indol-3-ylmethylideneamino]pyridin-2-amine (PubChem CID 135683472) has the molecular formula C14H9Cl3N4 and a molecular weight of 339.61 g/mol. Its IUPAC name is 3,5,6-trichloro-N-[(E)-1H-indol-3-ylmethylideneamino]pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-[(E)-1H-indol-3-ylmethylideneamino]pyridin-2-amine
PubChem CID135683472
Molecular FormulaC14H9Cl3N4
Molecular Weight339.61 g/mol
Exact Mass337.99
IUPAC Name3,5,6-trichloro-N-[(E)-1H-indol-3-ylmethylideneamino]pyridin-2-amine
SMILESClc1cc(Cl)c(N/N=C/c2c[nH]c3ccccc23)nc1Cl
InChIInChI=1S/C14H9Cl3N4/c15-10-5-11(16)14(20-13(10)17)21-19-7-8-6-18-12-4-2-1-3-9(8)12/h1-7,18H,(H,20,21)/b19-7+
InChIKeyIIFBMSWTXRSCSR-FBCYGCLPSA-N
XLogP4.97
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.61
LogP ≤ 54.97
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

3,5,6-trichloro-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridin-2-amine
CID 135716458
2-chloro-5-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]benzoate
CID 135795392
1-(2,6-dichlorophenyl)-N-[(Z)-1H-indol-3-ylmethylideneamino]methanamine
CID 136822601
2-N-(1H-indol-3-ylmethylideneamino)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 3092789
2-N-[(Z)-1H-indol-3-ylmethylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 136717071
5-N-[(E)-1H-indol-3-ylmethylideneamino]-6-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 137082807
4-(4-chlorophenyl)-N-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-amine
CID 2788394
N-(1H-indol-3-ylmethylideneamino)-3-(trifluoromethyl)aniline
CID 136704769
5-chloro-4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one
CID 135606125
N-[(E)-1H-indol-3-ylmethylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 135719318
N-[(E)-1H-indol-3-ylmethylideneamino]-8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine
CID 135458959
N-[(E)-1H-indol-3-ylmethylideneamino]-4,6,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-3-amine
CID 135399679

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-[(E)-1H-indol-3-ylmethylideneamino]pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-[(E)-1H-indol-3-ylmethylideneamino]pyridin-2-amine (CID 135683472) is 3,5,6-trichloro-N-[(E)-1H-indol-3-ylmethylideneamino]pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-[(E)-1H-indol-3-ylmethylideneamino]pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-[(E)-1H-indol-3-ylmethylideneamino]pyridin-2-amine is Clc1cc(Cl)c(N/N=C/c2c[nH]c3ccccc23)nc1Cl.
What is the InChIKey of 3,5,6-trichloro-N-[(E)-1H-indol-3-ylmethylideneamino]pyridin-2-amine?
The InChIKey is IIFBMSWTXRSCSR-FBCYGCLPSA-N. The full InChI is InChI=1S/C14H9Cl3N4/c15-10-5-11(16)14(20-13(10)17)21-19-7-8-6-18-12-4-2-1-3-9(8)12/h1-7,18H,(H,20,21)/b19-7+.
What are the key properties of 3,5,6-trichloro-N-[(E)-1H-indol-3-ylmethylideneamino]pyridin-2-amine?
3,5,6-trichloro-N-[(E)-1H-indol-3-ylmethylideneamino]pyridin-2-amine has a molecular weight of 339.61 g/mol, XLogP of 4.97, 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)-1H-indol-3-ylmethylideneamino]pyridin-2-amine is sourced from PubChem (CID 135683472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).