4-bromo-1-[12-(4-bromo-2-imino-1-pyridinyl)dodecyl]pyridin-2-imine;dihydrobromide

C22H34Br4N4 — CID 67644839

IUPAC4-bromo-1-[12-(4-bromo-2-imino-1-pyridinyl)dodecyl]pyridin-2-imine;dihydrobromide
SMILESBr.Br.[H]/N=c1\cc(Br)ccn1CCCCCCCCCCCCn1ccc(Br)c/c1=N\[H]
InChIInChI=1S/C22H32Br2N4.2BrH/c23-19-11-15-27(21(25)17-19)13-9-7-5-3-1-2-4-6-8-10-14-28-16-12-20(24)18-22(28)26;;/h11-12,15-18,25-26H,1-10,13-14H2;2*1H/b25-21+,26-22+;;
InChIKeyOSNZVLXMLJYZMV-MBGAYYRBSA-N
MW674.16 g/mol
LogP7.53
Rot. Bonds13

About 4-bromo-1-[12-(4-bromo-2-imino-1-pyridinyl)dodecyl]pyridin-2-imine;dihydrobromide

4-bromo-1-[12-(4-bromo-2-imino-1-pyridinyl)dodecyl]pyridin-2-imine;dihydrobromide (PubChem CID 67644839) has the molecular formula C22H34Br4N4 and a molecular weight of 674.16 g/mol. Its IUPAC name is 4-bromo-1-[12-(4-bromo-2-imino-1-pyridinyl)dodecyl]pyridin-2-imine;dihydrobromide.

Molecular Properties

Compound Name4-bromo-1-[12-(4-bromo-2-imino-1-pyridinyl)dodecyl]pyridin-2-imine;dihydrobromide
PubChem CID67644839
Molecular FormulaC22H34Br4N4
Molecular Weight674.16 g/mol
Exact Mass669.95
IUPAC Name4-bromo-1-[12-(4-bromo-2-imino-1-pyridinyl)dodecyl]pyridin-2-imine;dihydrobromide
SMILESBr.Br.[H]/N=c1\cc(Br)ccn1CCCCCCCCCCCCn1ccc(Br)c/c1=N\[H]
InChIInChI=1S/C22H32Br2N4.2BrH/c23-19-11-15-27(21(25)17-19)13-9-7-5-3-1-2-4-6-8-10-14-28-16-12-20(24)18-22(28)26;;/h11-12,15-18,25-26H,1-10,13-14H2;2*1H/b25-21+,26-22+;;
InChIKeyOSNZVLXMLJYZMV-MBGAYYRBSA-N
XLogP7.53
TPSA57.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.16
LogP ≤ 57.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[12-(4-bromo-2-imino-1-pyridinyl)dodecyl]pyridin-2-imine;dihydrobromide?
The IUPAC name of 4-bromo-1-[12-(4-bromo-2-imino-1-pyridinyl)dodecyl]pyridin-2-imine;dihydrobromide (CID 67644839) is 4-bromo-1-[12-(4-bromo-2-imino-1-pyridinyl)dodecyl]pyridin-2-imine;dihydrobromide.
What is the SMILES notation for 4-bromo-1-[12-(4-bromo-2-imino-1-pyridinyl)dodecyl]pyridin-2-imine;dihydrobromide?
The canonical SMILES for 4-bromo-1-[12-(4-bromo-2-imino-1-pyridinyl)dodecyl]pyridin-2-imine;dihydrobromide is Br.Br.[H]/N=c1\cc(Br)ccn1CCCCCCCCCCCCn1ccc(Br)c/c1=N\[H].
What is the InChIKey of 4-bromo-1-[12-(4-bromo-2-imino-1-pyridinyl)dodecyl]pyridin-2-imine;dihydrobromide?
The InChIKey is OSNZVLXMLJYZMV-MBGAYYRBSA-N. The full InChI is InChI=1S/C22H32Br2N4.2BrH/c23-19-11-15-27(21(25)17-19)13-9-7-5-3-1-2-4-6-8-10-14-28-16-12-20(24)18-22(28)26;;/h11-12,15-18,25-26H,1-10,13-14H2;2*1H/b25-21+,26-22+;;.
What are the key properties of 4-bromo-1-[12-(4-bromo-2-imino-1-pyridinyl)dodecyl]pyridin-2-imine;dihydrobromide?
4-bromo-1-[12-(4-bromo-2-imino-1-pyridinyl)dodecyl]pyridin-2-imine;dihydrobromide has a molecular weight of 674.16 g/mol, XLogP of 7.53, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[12-(4-bromo-2-imino-1-pyridinyl)dodecyl]pyridin-2-imine;dihydrobromide is sourced from PubChem (CID 67644839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).