2-[(Z)-N-hydroxy-C-(3-methoxyphenyl)carbonimidoyl]pyridine-4-carboxylic acid

C14H12N2O4 — CID 137246226

IUPAC2-[(Z)-N-hydroxy-C-(3-methoxyphenyl)carbonimidoyl]pyridine-4-carboxylic acid
SMILESCOc1cccc(/C(=N/O)c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C14H12N2O4/c1-20-11-4-2-3-9(7-11)13(16-19)12-8-10(14(17)18)5-6-15-12/h2-8,19H,1H3,(H,17,18)/b16-13-
InChIKeyJAQCKWDWLDIBMV-SSZFMOIBSA-N
MW272.26 g/mol
LogP2.02
Rot. Bonds4

About 2-[(Z)-N-hydroxy-C-(3-methoxyphenyl)carbonimidoyl]pyridine-4-carboxylic acid

2-[(Z)-N-hydroxy-C-(3-methoxyphenyl)carbonimidoyl]pyridine-4-carboxylic acid (PubChem CID 137246226) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-[(Z)-N-hydroxy-C-(3-methoxyphenyl)carbonimidoyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(Z)-N-hydroxy-C-(3-methoxyphenyl)carbonimidoyl]pyridine-4-carboxylic acid
PubChem CID137246226
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name2-[(Z)-N-hydroxy-C-(3-methoxyphenyl)carbonimidoyl]pyridine-4-carboxylic acid
SMILESCOc1cccc(/C(=N/O)c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C14H12N2O4/c1-20-11-4-2-3-9(7-11)13(16-19)12-8-10(14(17)18)5-6-15-12/h2-8,19H,1H3,(H,17,18)/b16-13-
InChIKeyJAQCKWDWLDIBMV-SSZFMOIBSA-N
XLogP2.02
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.02
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'}

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Related Compounds

2-[(E)-C-(4-fluorophenyl)-N-hydroxycarbonimidoyl]pyridine-4-carboxylic acid
CID 137251931
(NZ)-N-[(3-methoxyphenyl)-(1,3-oxazol-4-yl)methylidene]hydroxylamine
CID 121412947
3-methoxybenzoic acid;quinoline
CID 67785482
2-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055264
ethane;3-(methylideneamino)oxybenzoic acid
CID 144619463
1-(3-methoxyphenyl)-2-pyridin-4-ylethane-1,2-dione
CID 18704760
3-methoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 840468
2-[(Z)-C-[(3-aminophenoxy)methyl]-N-hydroxycarbonimidoyl]pyridine-4-carboxylic acid
CID 137246231
4-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 115730110
2-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 60709004
3-[(3-methoxyphenyl)methyl]benzoic acid
CID 86242874
(NE)-N-[(6-methoxynaphthalen-2-yl)-(6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine
CID 142403341

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-N-hydroxy-C-(3-methoxyphenyl)carbonimidoyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(Z)-N-hydroxy-C-(3-methoxyphenyl)carbonimidoyl]pyridine-4-carboxylic acid (CID 137246226) is 2-[(Z)-N-hydroxy-C-(3-methoxyphenyl)carbonimidoyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(Z)-N-hydroxy-C-(3-methoxyphenyl)carbonimidoyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(Z)-N-hydroxy-C-(3-methoxyphenyl)carbonimidoyl]pyridine-4-carboxylic acid is COc1cccc(/C(=N/O)c2cc(C(=O)O)ccn2)c1.
What is the InChIKey of 2-[(Z)-N-hydroxy-C-(3-methoxyphenyl)carbonimidoyl]pyridine-4-carboxylic acid?
The InChIKey is JAQCKWDWLDIBMV-SSZFMOIBSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-20-11-4-2-3-9(7-11)13(16-19)12-8-10(14(17)18)5-6-15-12/h2-8,19H,1H3,(H,17,18)/b16-13-.
What are the key properties of 2-[(Z)-N-hydroxy-C-(3-methoxyphenyl)carbonimidoyl]pyridine-4-carboxylic acid?
2-[(Z)-N-hydroxy-C-(3-methoxyphenyl)carbonimidoyl]pyridine-4-carboxylic acid has a molecular weight of 272.26 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-N-hydroxy-C-(3-methoxyphenyl)carbonimidoyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 137246226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).