1-[6-(6-bromo-2-pyridinyl)-3-pyridinyl]-N-decylmethanimine

C21H28BrN3 — CID 11003936

IUPAC1-[6-(6-bromo-2-pyridinyl)-3-pyridinyl]-N-decylmethanimine
SMILESCCCCCCCCCC/N=C/c1ccc(-c2cccc(Br)n2)nc1
InChIInChI=1S/C21H28BrN3/c1-2-3-4-5-6-7-8-9-15-23-16-18-13-14-19(24-17-18)20-11-10-12-21(22)25-20/h10-14,16-17H,2-9,15H2,1H3/b23-16+
InChIKeyAORLFPUGTCNBHS-XQNSMLJCSA-N
MW402.38 g/mol
LogP6.47
Rot. Bonds11

About 1-[6-(6-bromo-2-pyridinyl)-3-pyridinyl]-N-decylmethanimine

1-[6-(6-bromo-2-pyridinyl)-3-pyridinyl]-N-decylmethanimine (PubChem CID 11003936) has the molecular formula C21H28BrN3 and a molecular weight of 402.38 g/mol. Its IUPAC name is 1-[6-(6-bromo-2-pyridinyl)-3-pyridinyl]-N-decylmethanimine.

Molecular Properties

Compound Name1-[6-(6-bromo-2-pyridinyl)-3-pyridinyl]-N-decylmethanimine
PubChem CID11003936
Molecular FormulaC21H28BrN3
Molecular Weight402.38 g/mol
Exact Mass401.15
IUPAC Name1-[6-(6-bromo-2-pyridinyl)-3-pyridinyl]-N-decylmethanimine
SMILESCCCCCCCCCC/N=C/c1ccc(-c2cccc(Br)n2)nc1
InChIInChI=1S/C21H28BrN3/c1-2-3-4-5-6-7-8-9-15-23-16-18-13-14-19(24-17-18)20-11-10-12-21(22)25-20/h10-14,16-17H,2-9,15H2,1H3/b23-16+
InChIKeyAORLFPUGTCNBHS-XQNSMLJCSA-N
XLogP6.47
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.38
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-decyl-1-[4-(decyliminomethyl)phenyl]methanimine
CID 101093995
1-(4-bromophenyl)-N-decylmethanimine
CID 525668
N-hexyl-1-naphthalen-2-ylmethanimine
CID 10857572
N-tetradecyl-1-[6-(tetradecyliminomethyl)-2-pyridinyl]methanimine
CID 122366565
1-(4-methylphenyl)-N-nonylmethanimine
CID 525728
N-decyl-1-(4-phenylphenyl)methanimine
CID 86187503
N-hexadecyl-1-(4-methoxyphenyl)methanimine
CID 102417152
4-(hexyliminomethyl)benzaldehyde
CID 87557780
1-(4-ethenylphenyl)-N-hexylmethanimine
CID 66742447
N-hexyl-1-(4-prop-1-en-2-ylphenyl)methanimine
CID 90407063
1-(3-ethenylphenyl)-N-hexylmethanimine
CID 66742788
4-(decyliminomethyl)-N,N-dimethylaniline
CID 160905349

Frequently Asked Questions

What is the IUPAC name of 1-[6-(6-bromo-2-pyridinyl)-3-pyridinyl]-N-decylmethanimine?
The IUPAC name of 1-[6-(6-bromo-2-pyridinyl)-3-pyridinyl]-N-decylmethanimine (CID 11003936) is 1-[6-(6-bromo-2-pyridinyl)-3-pyridinyl]-N-decylmethanimine.
What is the SMILES notation for 1-[6-(6-bromo-2-pyridinyl)-3-pyridinyl]-N-decylmethanimine?
The canonical SMILES for 1-[6-(6-bromo-2-pyridinyl)-3-pyridinyl]-N-decylmethanimine is CCCCCCCCCC/N=C/c1ccc(-c2cccc(Br)n2)nc1.
What is the InChIKey of 1-[6-(6-bromo-2-pyridinyl)-3-pyridinyl]-N-decylmethanimine?
The InChIKey is AORLFPUGTCNBHS-XQNSMLJCSA-N. The full InChI is InChI=1S/C21H28BrN3/c1-2-3-4-5-6-7-8-9-15-23-16-18-13-14-19(24-17-18)20-11-10-12-21(22)25-20/h10-14,16-17H,2-9,15H2,1H3/b23-16+.
What are the key properties of 1-[6-(6-bromo-2-pyridinyl)-3-pyridinyl]-N-decylmethanimine?
1-[6-(6-bromo-2-pyridinyl)-3-pyridinyl]-N-decylmethanimine has a molecular weight of 402.38 g/mol, XLogP of 6.47, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(6-bromo-2-pyridinyl)-3-pyridinyl]-N-decylmethanimine is sourced from PubChem (CID 11003936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).