N-[(6E)-6-(1-hydroxy-2-pyridinylidene)-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-ylidene]acetamide

C14H11F3N2O3 — CID 57327495

IUPACN-[(6E)-6-(1-hydroxy-2-pyridinylidene)-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-ylidene]acetamide
SMILESCC(=O)/N=C1\C=CC(OC(F)(F)F)=C\C1=C1\C=CC=CN1O
InChIInChI=1S/C14H11F3N2O3/c1-9(20)18-12-6-5-10(22-14(15,16)17)8-11(12)13-4-2-3-7-19(13)21/h2-8,21H,1H3/b13-11+,18-12+
InChIKeyKJYLUSUWQMXJCK-GTSFMQCKSA-N
MW312.25 g/mol
LogP2.99
Rot. Bonds1

About N-[(6E)-6-(1-hydroxy-2-pyridinylidene)-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-ylidene]acetamide

N-[(6E)-6-(1-hydroxy-2-pyridinylidene)-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-ylidene]acetamide (PubChem CID 57327495) has the molecular formula C14H11F3N2O3 and a molecular weight of 312.25 g/mol. Its IUPAC name is N-[(6E)-6-(1-hydroxy-2-pyridinylidene)-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-ylidene]acetamide.

Molecular Properties

Compound NameN-[(6E)-6-(1-hydroxy-2-pyridinylidene)-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-ylidene]acetamide
PubChem CID57327495
Molecular FormulaC14H11F3N2O3
Molecular Weight312.25 g/mol
Exact Mass312.07
IUPAC NameN-[(6E)-6-(1-hydroxy-2-pyridinylidene)-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-ylidene]acetamide
SMILESCC(=O)/N=C1\C=CC(OC(F)(F)F)=C\C1=C1\C=CC=CN1O
InChIInChI=1S/C14H11F3N2O3/c1-9(20)18-12-6-5-10(22-14(15,16)17)8-11(12)13-4-2-3-7-19(13)21/h2-8,21H,1H3/b13-11+,18-12+
InChIKeyKJYLUSUWQMXJCK-GTSFMQCKSA-N
XLogP2.99
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6E)-6-(1-hydroxy-2-pyridinylidene)-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-ylidene]acetamide?
The IUPAC name of N-[(6E)-6-(1-hydroxy-2-pyridinylidene)-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-ylidene]acetamide (CID 57327495) is N-[(6E)-6-(1-hydroxy-2-pyridinylidene)-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-ylidene]acetamide.
What is the SMILES notation for N-[(6E)-6-(1-hydroxy-2-pyridinylidene)-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-ylidene]acetamide?
The canonical SMILES for N-[(6E)-6-(1-hydroxy-2-pyridinylidene)-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-ylidene]acetamide is CC(=O)/N=C1\C=CC(OC(F)(F)F)=C\C1=C1\C=CC=CN1O.
What is the InChIKey of N-[(6E)-6-(1-hydroxy-2-pyridinylidene)-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-ylidene]acetamide?
The InChIKey is KJYLUSUWQMXJCK-GTSFMQCKSA-N. The full InChI is InChI=1S/C14H11F3N2O3/c1-9(20)18-12-6-5-10(22-14(15,16)17)8-11(12)13-4-2-3-7-19(13)21/h2-8,21H,1H3/b13-11+,18-12+.
What are the key properties of N-[(6E)-6-(1-hydroxy-2-pyridinylidene)-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-ylidene]acetamide?
N-[(6E)-6-(1-hydroxy-2-pyridinylidene)-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-ylidene]acetamide has a molecular weight of 312.25 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6E)-6-(1-hydroxy-2-pyridinylidene)-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-ylidene]acetamide is sourced from PubChem (CID 57327495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).