5-(hydroxymethyl)-2-methyl-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]pyridin-3-ol

C13H14N4O2 — CID 135497330

IUPAC5-(hydroxymethyl)-2-methyl-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]pyridin-3-ol
SMILESCc1ncc(CO)c(/C=N/Nc2ccccn2)c1O
InChIInChI=1S/C13H14N4O2/c1-9-13(19)11(10(8-18)6-15-9)7-16-17-12-4-2-3-5-14-12/h2-7,18-19H,8H2,1H3,(H,14,17)/b16-7+
InChIKeyAXYVDYNCJHNSMD-FRKPEAEDSA-N
MW258.28 g/mol
LogP1.43
Rot. Bonds4

About 5-(hydroxymethyl)-2-methyl-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]pyridin-3-ol

5-(hydroxymethyl)-2-methyl-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]pyridin-3-ol (PubChem CID 135497330) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]pyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]pyridin-3-ol
PubChem CID135497330
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name5-(hydroxymethyl)-2-methyl-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]pyridin-3-ol
SMILESCc1ncc(CO)c(/C=N/Nc2ccccn2)c1O
InChIInChI=1S/C13H14N4O2/c1-9-13(19)11(10(8-18)6-15-9)7-16-17-12-4-2-3-5-14-12/h2-7,18-19H,8H2,1H3,(H,14,17)/b16-7+
InChIKeyAXYVDYNCJHNSMD-FRKPEAEDSA-N
XLogP1.43
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.43
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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Related Compounds

Pyridoxal Isonicotinoyl Hydrazone
CID 4818
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
3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde (6-chloropyridin-2-yl)hydrazone
CID 135829856
Pyridoxal isonicotinoyl hydrazone, (E)-
CID 135409539
Cgp 43902A
CID 135430705
3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde 1-phthalazinylhydrazone
CID 135465900
1-(4-fluorophenyl)-3-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]thiourea
CID 135521442
1-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-3-(4-propan-2-ylphenyl)thiourea
CID 135541144
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

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]pyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]pyridin-3-ol (CID 135497330) is 5-(hydroxymethyl)-2-methyl-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]pyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]pyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]pyridin-3-ol is Cc1ncc(CO)c(/C=N/Nc2ccccn2)c1O.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]pyridin-3-ol?
The InChIKey is AXYVDYNCJHNSMD-FRKPEAEDSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-9-13(19)11(10(8-18)6-15-9)7-16-17-12-4-2-3-5-14-12/h2-7,18-19H,8H2,1H3,(H,14,17)/b16-7+.
What are the key properties of 5-(hydroxymethyl)-2-methyl-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]pyridin-3-ol?
5-(hydroxymethyl)-2-methyl-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]pyridin-3-ol has a molecular weight of 258.28 g/mol, XLogP of 1.43, 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)-(pyridin-2-ylhydrazinylidene)methyl]pyridin-3-ol is sourced from PubChem (CID 135497330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).