5-(hydroxymethyl)-2-methyl-4-[(E)-[(3,4,5,6-tetrachloro-2-pyridinyl)hydrazinylidene]methyl]pyridin-3-ol

C13H10Cl4N4O2 — CID 135419365

IUPAC5-(hydroxymethyl)-2-methyl-4-[(E)-[(3,4,5,6-tetrachloro-2-pyridinyl)hydrazinylidene]methyl]pyridin-3-ol
SMILESCc1ncc(CO)c(/C=N/Nc2nc(Cl)c(Cl)c(Cl)c2Cl)c1O
InChIInChI=1S/C13H10Cl4N4O2/c1-5-11(23)7(6(4-22)2-18-5)3-19-21-13-10(16)8(14)9(15)12(17)20-13/h2-3,22-23H,4H2,1H3,(H,20,21)/b19-3+
InChIKeyDJZFFNRHLVYPDB-QBROUFQSSA-N
MW396.06 g/mol
LogP4.04
Rot. Bonds4

About 5-(hydroxymethyl)-2-methyl-4-[(E)-[(3,4,5,6-tetrachloro-2-pyridinyl)hydrazinylidene]methyl]pyridin-3-ol

5-(hydroxymethyl)-2-methyl-4-[(E)-[(3,4,5,6-tetrachloro-2-pyridinyl)hydrazinylidene]methyl]pyridin-3-ol (PubChem CID 135419365) has the molecular formula C13H10Cl4N4O2 and a molecular weight of 396.06 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-4-[(E)-[(3,4,5,6-tetrachloro-2-pyridinyl)hydrazinylidene]methyl]pyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-4-[(E)-[(3,4,5,6-tetrachloro-2-pyridinyl)hydrazinylidene]methyl]pyridin-3-ol
PubChem CID135419365
Molecular FormulaC13H10Cl4N4O2
Molecular Weight396.06 g/mol
Exact Mass393.96
IUPAC Name5-(hydroxymethyl)-2-methyl-4-[(E)-[(3,4,5,6-tetrachloro-2-pyridinyl)hydrazinylidene]methyl]pyridin-3-ol
SMILESCc1ncc(CO)c(/C=N/Nc2nc(Cl)c(Cl)c(Cl)c2Cl)c1O
InChIInChI=1S/C13H10Cl4N4O2/c1-5-11(23)7(6(4-22)2-18-5)3-19-21-13-10(16)8(14)9(15)12(17)20-13/h2-3,22-23H,4H2,1H3,(H,20,21)/b19-3+
InChIKeyDJZFFNRHLVYPDB-QBROUFQSSA-N
XLogP4.04
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.06
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[(E)-[(3,4,5,6-tetrachloro-2-pyridinyl)hydrazinylidene]methyl]pyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[(E)-[(3,4,5,6-tetrachloro-2-pyridinyl)hydrazinylidene]methyl]pyridin-3-ol (CID 135419365) is 5-(hydroxymethyl)-2-methyl-4-[(E)-[(3,4,5,6-tetrachloro-2-pyridinyl)hydrazinylidene]methyl]pyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-4-[(E)-[(3,4,5,6-tetrachloro-2-pyridinyl)hydrazinylidene]methyl]pyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-4-[(E)-[(3,4,5,6-tetrachloro-2-pyridinyl)hydrazinylidene]methyl]pyridin-3-ol is Cc1ncc(CO)c(/C=N/Nc2nc(Cl)c(Cl)c(Cl)c2Cl)c1O.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-4-[(E)-[(3,4,5,6-tetrachloro-2-pyridinyl)hydrazinylidene]methyl]pyridin-3-ol?
The InChIKey is DJZFFNRHLVYPDB-QBROUFQSSA-N. The full InChI is InChI=1S/C13H10Cl4N4O2/c1-5-11(23)7(6(4-22)2-18-5)3-19-21-13-10(16)8(14)9(15)12(17)20-13/h2-3,22-23H,4H2,1H3,(H,20,21)/b19-3+.
What are the key properties of 5-(hydroxymethyl)-2-methyl-4-[(E)-[(3,4,5,6-tetrachloro-2-pyridinyl)hydrazinylidene]methyl]pyridin-3-ol?
5-(hydroxymethyl)-2-methyl-4-[(E)-[(3,4,5,6-tetrachloro-2-pyridinyl)hydrazinylidene]methyl]pyridin-3-ol has a molecular weight of 396.06 g/mol, XLogP of 4.04, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-4-[(E)-[(3,4,5,6-tetrachloro-2-pyridinyl)hydrazinylidene]methyl]pyridin-3-ol is sourced from PubChem (CID 135419365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).