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'}

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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).