4-[(E)-[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride

C13H14Cl2N4O2 — CID 135829856

IUPAC4-[(E)-[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
SMILESCc1ncc(CO)c(/C=N/Nc2cccc(Cl)n2)c1O.Cl
InChIInChI=1S/C13H13ClN4O2.ClH/c1-8-13(20)10(9(7-19)5-15-8)6-16-18-12-4-2-3-11(14)17-12;/h2-6,19-20H,7H2,1H3,(H,17,18);1H/b16-6+;
InChIKeyNYRGMFIQEMWFSM-FPUQOWELSA-N
MW329.19 g/mol
LogP2.50
Rot. Bonds4

About 4-[(E)-[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride

4-[(E)-[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride (PubChem CID 135829856) has the molecular formula C13H14Cl2N4O2 and a molecular weight of 329.19 g/mol. Its IUPAC name is 4-[(E)-[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride.

Molecular Properties

Compound Name4-[(E)-[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
PubChem CID135829856
Molecular FormulaC13H14Cl2N4O2
Molecular Weight329.19 g/mol
Exact Mass328.05
IUPAC Name4-[(E)-[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
SMILESCc1ncc(CO)c(/C=N/Nc2cccc(Cl)n2)c1O.Cl
InChIInChI=1S/C13H13ClN4O2.ClH/c1-8-13(20)10(9(7-19)5-15-8)6-16-18-12-4-2-3-11(14)17-12;/h2-6,19-20H,7H2,1H3,(H,17,18);1H/b16-6+;
InChIKeyNYRGMFIQEMWFSM-FPUQOWELSA-N
XLogP2.50
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 52.50
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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Related Compounds

5-(hydroxymethyl)-2-methyl-4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]pyridin-3-ol
CID 135557876
4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 135558343
1-(3,4-dichlorophenyl)-3-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]thiourea
CID 135433203
1-(3-chlorophenyl)-3-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]thiourea
CID 135433208
Cgp 43902A
CID 135430705
Pyridoxal 2-pyridylhydrazone
CID 135497330
5-(hydroxymethyl)-1,2-dimethyl-4-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]pyridin-1-ium-3-ol iodide
CID 135415110
5-(hydroxymethyl)-2-methyl-4-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]pyridin-3-ol
CID 135415135
5-(hydroxymethyl)-2-methyl-4-[(E)-[(3,4,5,6-tetrachloro-2-pyridinyl)hydrazinylidene]methyl]pyridin-3-ol
CID 135419365
4-[(E)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 135467894
6-[(5-Chloro-2-pyridinyl)amino]-2,4,5-trimethylpyridin-3-ol
CID 145987762
5-(Hydroxymethyl)-2-methyl-4-[[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]pyridin-3-ol
CID 4840443

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride?
The IUPAC name of 4-[(E)-[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride (CID 135829856) is 4-[(E)-[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride.
What is the SMILES notation for 4-[(E)-[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride?
The canonical SMILES for 4-[(E)-[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride is Cc1ncc(CO)c(/C=N/Nc2cccc(Cl)n2)c1O.Cl.
What is the InChIKey of 4-[(E)-[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride?
The InChIKey is NYRGMFIQEMWFSM-FPUQOWELSA-N. The full InChI is InChI=1S/C13H13ClN4O2.ClH/c1-8-13(20)10(9(7-19)5-15-8)6-16-18-12-4-2-3-11(14)17-12;/h2-6,19-20H,7H2,1H3,(H,17,18);1H/b16-6+;.
What are the key properties of 4-[(E)-[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride?
4-[(E)-[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride has a molecular weight of 329.19 g/mol, XLogP of 2.50, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride is sourced from PubChem (CID 135829856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).