3,5,6-trichloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)pyridin-2-amine

C15H12Cl3N3 — CID 3889948

IUPAC3,5,6-trichloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)pyridin-2-amine
SMILESClc1cc(Cl)c(NN=C2CCCc3ccccc32)nc1Cl
InChIInChI=1S/C15H12Cl3N3/c16-11-8-12(17)15(19-14(11)18)21-20-13-7-3-5-9-4-1-2-6-10(9)13/h1-2,4,6,8H,3,5,7H2,(H,19,21)
InChIKeyFZNXUTMLOLOFNJ-UHFFFAOYSA-N
MW340.64 g/mol
LogP5.19
Rot. Bonds2

About 3,5,6-trichloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)pyridin-2-amine

3,5,6-trichloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)pyridin-2-amine (PubChem CID 3889948) has the molecular formula C15H12Cl3N3 and a molecular weight of 340.64 g/mol. Its IUPAC name is 3,5,6-trichloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)pyridin-2-amine
PubChem CID3889948
Molecular FormulaC15H12Cl3N3
Molecular Weight340.64 g/mol
Exact Mass339.01
IUPAC Name3,5,6-trichloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)pyridin-2-amine
SMILESClc1cc(Cl)c(NN=C2CCCc3ccccc32)nc1Cl
InChIInChI=1S/C15H12Cl3N3/c16-11-8-12(17)15(19-14(11)18)21-20-13-7-3-5-9-4-1-2-6-10(9)13/h1-2,4,6,8H,3,5,7H2,(H,19,21)
InChIKeyFZNXUTMLOLOFNJ-UHFFFAOYSA-N
XLogP5.19
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.64
LogP ≤ 55.19
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

3-(4-Chlorophenyl)-1-hydrazinylisoquinoline
CID 129832635
3,4-Dihydronaphthalen-1(2 h)-one (5-chloropyridin-2-yl)-hydrazone
CID 129875663
3,4-Dihydronaphthalen-2(1 h)-one (5-chloropyridin-2-yl)hydrazone
CID 129875836
3,5,6-trichloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine
CID 3673979
3,5,6-trichloro-N-[1-(4-fluorophenyl)ethylideneamino]pyridin-2-amine
CID 3898218
3,5,6-trichloro-N-[(2,4-difluorophenyl)methylideneamino]pyridin-2-amine
CID 3965275
3,5,6-trichloro-N-[(3-fluorophenyl)methylideneamino]pyridin-2-amine
CID 4000923
3,5,6-trichloro-N-[(2-chloro-6-fluorophenyl)methylideneamino]pyridin-2-amine
CID 4022116
3,5,6-trichloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine
CID 4211223
3,5,6-trichloro-N-[(4-fluorophenyl)methylideneamino]pyridin-2-amine
CID 4320148
3,5,6-trichloro-N-[(2-fluorophenyl)methylideneamino]pyridin-2-amine
CID 4587528
3,5,6-trichloro-N-[1-(2-fluorophenyl)ethylideneamino]pyridin-2-amine
CID 4666479

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)pyridin-2-amine (CID 3889948) is 3,5,6-trichloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)pyridin-2-amine is Clc1cc(Cl)c(NN=C2CCCc3ccccc32)nc1Cl.
What is the InChIKey of 3,5,6-trichloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)pyridin-2-amine?
The InChIKey is FZNXUTMLOLOFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3N3/c16-11-8-12(17)15(19-14(11)18)21-20-13-7-3-5-9-4-1-2-6-10(9)13/h1-2,4,6,8H,3,5,7H2,(H,19,21).
What are the key properties of 3,5,6-trichloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)pyridin-2-amine?
3,5,6-trichloro-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)pyridin-2-amine has a molecular weight of 340.64 g/mol, XLogP of 5.19, 2 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-(3,4-dihydro-2H-naphthalen-1-ylideneamino)pyridin-2-amine is sourced from PubChem (CID 3889948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).