4-[(E)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

C13H12Cl2N4O2 — CID 135467894

IUPAC4-[(E)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(/C=N/Nc2ncc(Cl)cc2Cl)c1O
InChIInChI=1S/C13H12Cl2N4O2/c1-7-12(21)10(8(6-20)3-16-7)5-18-19-13-11(15)2-9(14)4-17-13/h2-5,20-21H,6H2,1H3,(H,17,19)/b18-5+
InChIKeyDOCQFPAOLMBOQY-BLLMUTORSA-N
MW327.17 g/mol
LogP2.74
Rot. Bonds4

About 4-[(E)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

4-[(E)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (PubChem CID 135467894) has the molecular formula C13H12Cl2N4O2 and a molecular weight of 327.17 g/mol. Its IUPAC name is 4-[(E)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name4-[(E)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
PubChem CID135467894
Molecular FormulaC13H12Cl2N4O2
Molecular Weight327.17 g/mol
Exact Mass326.03
IUPAC Name4-[(E)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(/C=N/Nc2ncc(Cl)cc2Cl)c1O
InChIInChI=1S/C13H12Cl2N4O2/c1-7-12(21)10(8(6-20)3-16-7)5-18-19-13-11(15)2-9(14)4-17-13/h2-5,20-21H,6H2,1H3,(H,17,19)/b18-5+
InChIKeyDOCQFPAOLMBOQY-BLLMUTORSA-N
XLogP2.74
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The IUPAC name of 4-[(E)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (CID 135467894) is 4-[(E)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.
What is the SMILES notation for 4-[(E)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The canonical SMILES for 4-[(E)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is Cc1ncc(CO)c(/C=N/Nc2ncc(Cl)cc2Cl)c1O.
What is the InChIKey of 4-[(E)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The InChIKey is DOCQFPAOLMBOQY-BLLMUTORSA-N. The full InChI is InChI=1S/C13H12Cl2N4O2/c1-7-12(21)10(8(6-20)3-16-7)5-18-19-13-11(15)2-9(14)4-17-13/h2-5,20-21H,6H2,1H3,(H,17,19)/b18-5+.
What are the key properties of 4-[(E)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
4-[(E)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol has a molecular weight of 327.17 g/mol, XLogP of 2.74, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is sourced from PubChem (CID 135467894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).