2-[(Z)-C-[(4-chlorophenoxy)methyl]-N-hydroxycarbonimidoyl]pyridine-4-carboxylic acid

C14H11ClN2O4 — CID 137251986

IUPAC2-[(Z)-C-[(4-chlorophenoxy)methyl]-N-hydroxycarbonimidoyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(/C(COc2ccc(Cl)cc2)=N/O)c1
InChIInChI=1S/C14H11ClN2O4/c15-10-1-3-11(4-2-10)21-8-13(17-20)12-7-9(14(18)19)5-6-16-12/h1-7,20H,8H2,(H,18,19)/b17-13+
InChIKeyZBWLDUVJDUOYGO-GHRIWEEISA-N
MW306.71 g/mol
LogP2.69
Rot. Bonds5

About 2-[(Z)-C-[(4-chlorophenoxy)methyl]-N-hydroxycarbonimidoyl]pyridine-4-carboxylic acid

2-[(Z)-C-[(4-chlorophenoxy)methyl]-N-hydroxycarbonimidoyl]pyridine-4-carboxylic acid (PubChem CID 137251986) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.71 g/mol. Its IUPAC name is 2-[(Z)-C-[(4-chlorophenoxy)methyl]-N-hydroxycarbonimidoyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(Z)-C-[(4-chlorophenoxy)methyl]-N-hydroxycarbonimidoyl]pyridine-4-carboxylic acid
PubChem CID137251986
Molecular FormulaC14H11ClN2O4
Molecular Weight306.71 g/mol
Exact Mass306.04
IUPAC Name2-[(Z)-C-[(4-chlorophenoxy)methyl]-N-hydroxycarbonimidoyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(/C(COc2ccc(Cl)cc2)=N/O)c1
InChIInChI=1S/C14H11ClN2O4/c15-10-1-3-11(4-2-10)21-8-13(17-20)12-7-9(14(18)19)5-6-16-12/h1-7,20H,8H2,(H,18,19)/b17-13+
InChIKeyZBWLDUVJDUOYGO-GHRIWEEISA-N
XLogP2.69
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(Z)-C-[(4-chlorophenoxy)methyl]-N-hydroxycarbonimidoyl]pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(Z)-C-[(3-aminophenoxy)methyl]-N-hydroxycarbonimidoyl]pyridine-4-carboxylic acid
CID 137246231
2-[(E)-C-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-N-hydroxycarbonimidoyl]pyridine-4-carboxylic acid
CID 137251997
bis(2-(4-chlorophenoxy)acetic acid);zinc
CID 11201418
2-[(Z)-N-hydroxy-C-(3-methoxyphenyl)carbonimidoyl]pyridine-4-carboxylic acid
CID 137246226
bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105
2-[2-(4-chlorophenoxy)acetyl]-1,3-thiazole-4-carboxylic acid
CID 9159452
2-(4-ethoxyphenyl)pyridine-4-carboxylic acid
CID 50999400
2-[(E)-C-(4-fluorophenyl)-N-hydroxycarbonimidoyl]pyridine-4-carboxylic acid
CID 137251931
2-(4-chlorophenoxy)-N-oxoacetamide
CID 123460876
2-(4-chlorophenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide
CID 3256701
4-N-(4-chlorophenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092859
5-[3-(4-chlorophenoxy)propoxy]pyridine-3-carboxylic acid
CID 63852389

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-C-[(4-chlorophenoxy)methyl]-N-hydroxycarbonimidoyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(Z)-C-[(4-chlorophenoxy)methyl]-N-hydroxycarbonimidoyl]pyridine-4-carboxylic acid (CID 137251986) is 2-[(Z)-C-[(4-chlorophenoxy)methyl]-N-hydroxycarbonimidoyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(Z)-C-[(4-chlorophenoxy)methyl]-N-hydroxycarbonimidoyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(Z)-C-[(4-chlorophenoxy)methyl]-N-hydroxycarbonimidoyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(/C(COc2ccc(Cl)cc2)=N/O)c1.
What is the InChIKey of 2-[(Z)-C-[(4-chlorophenoxy)methyl]-N-hydroxycarbonimidoyl]pyridine-4-carboxylic acid?
The InChIKey is ZBWLDUVJDUOYGO-GHRIWEEISA-N. The full InChI is InChI=1S/C14H11ClN2O4/c15-10-1-3-11(4-2-10)21-8-13(17-20)12-7-9(14(18)19)5-6-16-12/h1-7,20H,8H2,(H,18,19)/b17-13+.
What are the key properties of 2-[(Z)-C-[(4-chlorophenoxy)methyl]-N-hydroxycarbonimidoyl]pyridine-4-carboxylic acid?
2-[(Z)-C-[(4-chlorophenoxy)methyl]-N-hydroxycarbonimidoyl]pyridine-4-carboxylic acid has a molecular weight of 306.71 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-C-[(4-chlorophenoxy)methyl]-N-hydroxycarbonimidoyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 137251986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).