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

C13H11FN2O2 — CID 177400183

IUPACN-[(6Z)-4-fluoro-6-(1-hydroxy-2-pyridinylidene)cyclohexa-2,4-dien-1-ylidene]acetamide
SMILESCC(=O)/N=C1\C=CC(F)=C\C1=C1/C=CC=CN1O
InChIInChI=1S/C13H11FN2O2/c1-9(17)15-12-6-5-10(14)8-11(12)13-4-2-3-7-16(13)18/h2-8,18H,1H3/b13-11-,15-12+
InChIKeyVVWIZOAFMMLJLK-OWTZWGKBSA-N
MW246.24 g/mol
LogP2.43
Rot. Bonds

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

N-[(6Z)-4-fluoro-6-(1-hydroxy-2-pyridinylidene)cyclohexa-2,4-dien-1-ylidene]acetamide (PubChem CID 177400183) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is N-[(6Z)-4-fluoro-6-(1-hydroxy-2-pyridinylidene)cyclohexa-2,4-dien-1-ylidene]acetamide.

Molecular Properties

Compound NameN-[(6Z)-4-fluoro-6-(1-hydroxy-2-pyridinylidene)cyclohexa-2,4-dien-1-ylidene]acetamide
PubChem CID177400183
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC NameN-[(6Z)-4-fluoro-6-(1-hydroxy-2-pyridinylidene)cyclohexa-2,4-dien-1-ylidene]acetamide
SMILESCC(=O)/N=C1\C=CC(F)=C\C1=C1/C=CC=CN1O
InChIInChI=1S/C13H11FN2O2/c1-9(17)15-12-6-5-10(14)8-11(12)13-4-2-3-7-16(13)18/h2-8,18H,1H3/b13-11-,15-12+
InChIKeyVVWIZOAFMMLJLK-OWTZWGKBSA-N
XLogP2.43
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-Hydroxy-5-methyl-1,6-naphthyridin-2-one
CID 10329832
N-[(6E)-6-(1-hydroxy-2-pyridinylidene)-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-ylidene]acetamide
CID 57327495
5-Ethyl-6-hydroxy-1,6-naphthyridin-2-one
CID 10081227
6-Hydroxy-4,5-dimethyl-1,6-naphthyridin-2-one
CID 20240328
5-methyl-1,6-naphthyridin-2(1H)-one-6-oxide hydrochloride
CID 20240330
6-Hydroxy-1,6-naphthyridin-2-one
CID 54478358
N-[(6E)-6-[(Z)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3,4-dimethylcyclohexa-2,4-dien-1-ylidene]acetamide
CID 59872327
4-acetylamino-2,3-dimethylpyridine N-oxide
CID 67695654
5-Ethyl-6-hydroxy-1,6-naphthyridin-2-one;hydrate
CID 70072036
N-[6-[(1-hydroxy-2-pyridinylidene)hydrazinylidene]-3,4-dimethylcyclohexa-2,4-dien-1-ylidene]acetamide
CID 73456264
N-[6-[[tert-butyl(hydroxy)amino]methylidene]cyclohexa-2,4-dien-1-ylidene]acetamide
CID 149436633
5-(N-ethyl-C-methylcarbonimidoyl)-1-hydroxypyridin-2-one
CID 178106779

Frequently Asked Questions

What is the IUPAC name of N-[(6Z)-4-fluoro-6-(1-hydroxy-2-pyridinylidene)cyclohexa-2,4-dien-1-ylidene]acetamide?
The IUPAC name of N-[(6Z)-4-fluoro-6-(1-hydroxy-2-pyridinylidene)cyclohexa-2,4-dien-1-ylidene]acetamide (CID 177400183) is N-[(6Z)-4-fluoro-6-(1-hydroxy-2-pyridinylidene)cyclohexa-2,4-dien-1-ylidene]acetamide.
What is the SMILES notation for N-[(6Z)-4-fluoro-6-(1-hydroxy-2-pyridinylidene)cyclohexa-2,4-dien-1-ylidene]acetamide?
The canonical SMILES for N-[(6Z)-4-fluoro-6-(1-hydroxy-2-pyridinylidene)cyclohexa-2,4-dien-1-ylidene]acetamide is CC(=O)/N=C1\C=CC(F)=C\C1=C1/C=CC=CN1O.
What is the InChIKey of N-[(6Z)-4-fluoro-6-(1-hydroxy-2-pyridinylidene)cyclohexa-2,4-dien-1-ylidene]acetamide?
The InChIKey is VVWIZOAFMMLJLK-OWTZWGKBSA-N. The full InChI is InChI=1S/C13H11FN2O2/c1-9(17)15-12-6-5-10(14)8-11(12)13-4-2-3-7-16(13)18/h2-8,18H,1H3/b13-11-,15-12+.
What are the key properties of N-[(6Z)-4-fluoro-6-(1-hydroxy-2-pyridinylidene)cyclohexa-2,4-dien-1-ylidene]acetamide?
N-[(6Z)-4-fluoro-6-(1-hydroxy-2-pyridinylidene)cyclohexa-2,4-dien-1-ylidene]acetamide has a molecular weight of 246.24 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6Z)-4-fluoro-6-(1-hydroxy-2-pyridinylidene)cyclohexa-2,4-dien-1-ylidene]acetamide is sourced from PubChem (CID 177400183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).