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

C14H12ClF3N4O2 — CID 135722881

IUPAC4-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(/C=N/Nc2ncc(C(F)(F)F)cc2Cl)c1O
InChIInChI=1S/C14H12ClF3N4O2/c1-7-12(24)10(8(6-23)3-19-7)5-21-22-13-11(15)2-9(4-20-13)14(16,17)18/h2-5,23-24H,6H2,1H3,(H,20,22)/b21-5+
InChIKeyDFYIJUKRBMESJI-IGCPIRJNSA-N
MW360.72 g/mol
LogP3.10
Rot. Bonds4

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

4-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (PubChem CID 135722881) has the molecular formula C14H12ClF3N4O2 and a molecular weight of 360.72 g/mol. Its IUPAC name is 4-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name4-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
PubChem CID135722881
Molecular FormulaC14H12ClF3N4O2
Molecular Weight360.72 g/mol
Exact Mass360.06
IUPAC Name4-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(/C=N/Nc2ncc(C(F)(F)F)cc2Cl)c1O
InChIInChI=1S/C14H12ClF3N4O2/c1-7-12(24)10(8(6-23)3-19-7)5-21-22-13-11(15)2-9(4-20-13)14(16,17)18/h2-5,23-24H,6H2,1H3,(H,20,22)/b21-5+
InChIKeyDFYIJUKRBMESJI-IGCPIRJNSA-N
XLogP3.10
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.72
LogP ≤ 53.10
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-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The IUPAC name of 4-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (CID 135722881) is 4-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.
What is the SMILES notation for 4-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The canonical SMILES for 4-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is Cc1ncc(CO)c(/C=N/Nc2ncc(C(F)(F)F)cc2Cl)c1O.
What is the InChIKey of 4-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The InChIKey is DFYIJUKRBMESJI-IGCPIRJNSA-N. The full InChI is InChI=1S/C14H12ClF3N4O2/c1-7-12(24)10(8(6-23)3-19-7)5-21-22-13-11(15)2-9(4-20-13)14(16,17)18/h2-5,23-24H,6H2,1H3,(H,20,22)/b21-5+.
What are the key properties of 4-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
4-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol has a molecular weight of 360.72 g/mol, XLogP of 3.10, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is sourced from PubChem (CID 135722881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).