(2R,3S,4R,5S)-6-[(2,4-dichlorophenyl)hydrazinylidene]hexane-1,2,3,4,5-pentol

C12H16Cl2N2O5 — CID 131887644

IUPAC(2R,3S,4R,5S)-6-[(2,4-dichlorophenyl)hydrazinylidene]hexane-1,2,3,4,5-pentol
SMILESOC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C=NNc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O5/c13-6-1-2-8(7(14)3-6)16-15-4-9(18)11(20)12(21)10(19)5-17/h1-4,9-12,16-21H,5H2/t9-,10+,11+,12-/m0/s1
InChIKeyNBMOYFOAEHMFIT-QCNOEVLYSA-N
MW339.18 g/mol
LogP-0.17
Rot. Bonds7

About (2R,3S,4R,5S)-6-[(2,4-dichlorophenyl)hydrazinylidene]hexane-1,2,3,4,5-pentol

(2R,3S,4R,5S)-6-[(2,4-dichlorophenyl)hydrazinylidene]hexane-1,2,3,4,5-pentol (PubChem CID 131887644) has the molecular formula C12H16Cl2N2O5 and a molecular weight of 339.18 g/mol. Its IUPAC name is (2R,3S,4R,5S)-6-[(2,4-dichlorophenyl)hydrazinylidene]hexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-6-[(2,4-dichlorophenyl)hydrazinylidene]hexane-1,2,3,4,5-pentol
PubChem CID131887644
Molecular FormulaC12H16Cl2N2O5
Molecular Weight339.18 g/mol
Exact Mass338.04
IUPAC Name(2R,3S,4R,5S)-6-[(2,4-dichlorophenyl)hydrazinylidene]hexane-1,2,3,4,5-pentol
SMILESOC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C=NNc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O5/c13-6-1-2-8(7(14)3-6)16-15-4-9(18)11(20)12(21)10(19)5-17/h1-4,9-12,16-21H,5H2/t9-,10+,11+,12-/m0/s1
InChIKeyNBMOYFOAEHMFIT-QCNOEVLYSA-N
XLogP-0.17
TPSA125.54 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.18
LogP ≤ 5-0.17
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,4R,5S,6E)-6-[(6-chloro-4-methylquinolin-2-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol
CID 10809137
(2R,3R,4R,5S,6E)-6-[[6-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]hexane-1,2,3,4,5-pentol
CID 42630942
N-(2,4-dichlorophenyl)ethanehydrazonoyl chloride
CID 72815031
(2R,3S,4R,5S,6E)-6-[(2-phenylquinazolin-4-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol
CID 10572933
5-chloro-4-(2,4-dichlorophenyl)pentane-1,2,3-triol
CID 19763617
2,4-dichloro-N-[[2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methylbutylidene]amino]aniline
CID 67839080
(2R,3R,5E)-5-[(3-phenylquinoxalin-2-yl)hydrazinylidene]pentane-1,2,3,4-tetrol
CID 139229642
3-ethyl-2-[(2E)-2-[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]hydrazinyl]quinazolin-4-one
CID 11728249
N-[(Z)-(4-chlorophenyl)methylideneamino]-2,3,4,5,6-pentahydroxyhexanamide
CID 6060051
6-naphthalen-2-yl-2-[(2E)-2-[(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]hydrazinyl]-4-phenylpyridine-3-carbonitrile
CID 72694814
(2R,3R,4R,5S)-6-(diphenylhydrazinylidene)hexane-1,2,3,4,5-pentol
CID 67783698
1-(4-chloro-2-fluorophenyl)propane-1,2,3-triol
CID 170817442

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-6-[(2,4-dichlorophenyl)hydrazinylidene]hexane-1,2,3,4,5-pentol?
The IUPAC name of (2R,3S,4R,5S)-6-[(2,4-dichlorophenyl)hydrazinylidene]hexane-1,2,3,4,5-pentol (CID 131887644) is (2R,3S,4R,5S)-6-[(2,4-dichlorophenyl)hydrazinylidene]hexane-1,2,3,4,5-pentol.
What is the SMILES notation for (2R,3S,4R,5S)-6-[(2,4-dichlorophenyl)hydrazinylidene]hexane-1,2,3,4,5-pentol?
The canonical SMILES for (2R,3S,4R,5S)-6-[(2,4-dichlorophenyl)hydrazinylidene]hexane-1,2,3,4,5-pentol is OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C=NNc1ccc(Cl)cc1Cl.
What is the InChIKey of (2R,3S,4R,5S)-6-[(2,4-dichlorophenyl)hydrazinylidene]hexane-1,2,3,4,5-pentol?
The InChIKey is NBMOYFOAEHMFIT-QCNOEVLYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O5/c13-6-1-2-8(7(14)3-6)16-15-4-9(18)11(20)12(21)10(19)5-17/h1-4,9-12,16-21H,5H2/t9-,10+,11+,12-/m0/s1.
What are the key properties of (2R,3S,4R,5S)-6-[(2,4-dichlorophenyl)hydrazinylidene]hexane-1,2,3,4,5-pentol?
(2R,3S,4R,5S)-6-[(2,4-dichlorophenyl)hydrazinylidene]hexane-1,2,3,4,5-pentol has a molecular weight of 339.18 g/mol, XLogP of -0.17, 7 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-6-[(2,4-dichlorophenyl)hydrazinylidene]hexane-1,2,3,4,5-pentol is sourced from PubChem (CID 131887644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).