2,6-dibromo-4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol;hydrochloride

C16H12Br2ClN3O — CID 163327922

IUPAC2,6-dibromo-4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol;hydrochloride
SMILESCl.Oc1c(Br)cc(/C=N/Nc2ccc3ccccc3n2)cc1Br
InChIInChI=1S/C16H11Br2N3O.ClH/c17-12-7-10(8-13(18)16(12)22)9-19-21-15-6-5-11-3-1-2-4-14(11)20-15;/h1-9,22H,(H,20,21);1H/b19-9+;
InChIKeyLYORJZHNVOOIQT-MYHMWQFYSA-N
MW457.55 g/mol
LogP5.33
Rot. Bonds3

About 2,6-dibromo-4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol;hydrochloride

2,6-dibromo-4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol;hydrochloride (PubChem CID 163327922) has the molecular formula C16H12Br2ClN3O and a molecular weight of 457.55 g/mol. Its IUPAC name is 2,6-dibromo-4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol;hydrochloride.

Molecular Properties

Compound Name2,6-dibromo-4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol;hydrochloride
PubChem CID163327922
Molecular FormulaC16H12Br2ClN3O
Molecular Weight457.55 g/mol
Exact Mass454.90
IUPAC Name2,6-dibromo-4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol;hydrochloride
SMILESCl.Oc1c(Br)cc(/C=N/Nc2ccc3ccccc3n2)cc1Br
InChIInChI=1S/C16H11Br2N3O.ClH/c17-12-7-10(8-13(18)16(12)22)9-19-21-15-6-5-11-3-1-2-4-14(11)20-15;/h1-9,22H,(H,20,21);1H/b19-9+;
InChIKeyLYORJZHNVOOIQT-MYHMWQFYSA-N
XLogP5.33
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.55
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

2,6-ditert-butyl-4-[(Z)-(quinolin-2-ylhydrazinylidene)methyl]phenol
CID 136690371
4-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol
CID 3407357
3-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2-diol
CID 4840474
4-tert-butyl-2,6-bis[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol
CID 135590058
4-[(quinolin-2-ylhydrazinylidene)methyl]benzonitrile
CID 3537773
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]quinolin-2-amine
CID 29250260
5-(hydroxymethyl)-2-methyl-4-[(quinolin-2-ylhydrazinylidene)methyl]pyridin-3-ol;hydrochloride
CID 171151082
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 135765556
2,6-dibromo-4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 136803392
4-nitro-2-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol
CID 135642191
N-[(Z)-(10-chloroanthracen-9-yl)methylideneamino]quinolin-2-amine
CID 6059144
5-(hydroxymethyl)-2-methyl-4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]pyridin-3-ol
CID 135537580

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol;hydrochloride?
The IUPAC name of 2,6-dibromo-4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol;hydrochloride (CID 163327922) is 2,6-dibromo-4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol;hydrochloride.
What is the SMILES notation for 2,6-dibromo-4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol;hydrochloride?
The canonical SMILES for 2,6-dibromo-4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol;hydrochloride is Cl.Oc1c(Br)cc(/C=N/Nc2ccc3ccccc3n2)cc1Br.
What is the InChIKey of 2,6-dibromo-4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol;hydrochloride?
The InChIKey is LYORJZHNVOOIQT-MYHMWQFYSA-N. The full InChI is InChI=1S/C16H11Br2N3O.ClH/c17-12-7-10(8-13(18)16(12)22)9-19-21-15-6-5-11-3-1-2-4-14(11)20-15;/h1-9,22H,(H,20,21);1H/b19-9+;.
What are the key properties of 2,6-dibromo-4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol;hydrochloride?
2,6-dibromo-4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol;hydrochloride has a molecular weight of 457.55 g/mol, XLogP of 5.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol;hydrochloride is sourced from PubChem (CID 163327922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).