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

C14H13F3N4O2 — CID 135557876

IUPAC5-(hydroxymethyl)-2-methyl-4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]pyridin-3-ol
SMILESCc1ncc(CO)c(/C=N/Nc2ccc(C(F)(F)F)cn2)c1O
InChIInChI=1S/C14H13F3N4O2/c1-8-13(23)11(9(7-22)4-18-8)6-20-21-12-3-2-10(5-19-12)14(15,16)17/h2-6,22-23H,7H2,1H3,(H,19,21)/b20-6+
InChIKeyQXPIWPPRIKEQDC-CGOBSMCZSA-N
MW326.28 g/mol
LogP2.45
Rot. Bonds4

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

5-(hydroxymethyl)-2-methyl-4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]pyridin-3-ol (PubChem CID 135557876) has the molecular formula C14H13F3N4O2 and a molecular weight of 326.28 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]pyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]pyridin-3-ol
PubChem CID135557876
Molecular FormulaC14H13F3N4O2
Molecular Weight326.28 g/mol
Exact Mass326.10
IUPAC Name5-(hydroxymethyl)-2-methyl-4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]pyridin-3-ol
SMILESCc1ncc(CO)c(/C=N/Nc2ccc(C(F)(F)F)cn2)c1O
InChIInChI=1S/C14H13F3N4O2/c1-8-13(23)11(9(7-22)4-18-8)6-20-21-12-3-2-10(5-19-12)14(15,16)17/h2-6,22-23H,7H2,1H3,(H,19,21)/b20-6+
InChIKeyQXPIWPPRIKEQDC-CGOBSMCZSA-N
XLogP2.45
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.45
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'}

Analyze 5-(hydroxymethyl)-2-methyl-4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]pyridin-3-ol with MolForge

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Related Compounds

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
Cgp 43902A
CID 135430705
Pyridoxal 2-pyridylhydrazone
CID 135497330
1-(4-fluorophenyl)-3-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]thiourea
CID 135521442
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
[5-hydroxy-6-methyl-4-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]-3-pyridinyl]methyl acetate
CID 136186025
2,4,5-Trimethyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyridin-3-ol
CID 145980161
2,4,5-Trimethyl-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridin-3-ol
CID 145987611

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]pyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]pyridin-3-ol (CID 135557876) is 5-(hydroxymethyl)-2-methyl-4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]pyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]pyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]pyridin-3-ol is Cc1ncc(CO)c(/C=N/Nc2ccc(C(F)(F)F)cn2)c1O.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]pyridin-3-ol?
The InChIKey is QXPIWPPRIKEQDC-CGOBSMCZSA-N. The full InChI is InChI=1S/C14H13F3N4O2/c1-8-13(23)11(9(7-22)4-18-8)6-20-21-12-3-2-10(5-19-12)14(15,16)17/h2-6,22-23H,7H2,1H3,(H,19,21)/b20-6+.
What are the key properties of 5-(hydroxymethyl)-2-methyl-4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]pyridin-3-ol?
5-(hydroxymethyl)-2-methyl-4-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]pyridin-3-ol has a molecular weight of 326.28 g/mol, XLogP of 2.45, 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)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]pyridin-3-ol is sourced from PubChem (CID 135557876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).