4-chloro-2-hydroxy-N-(pyridin-4-ylmethylideneamino)benzamide

C13H10ClN3O2 — CID 867441

IUPAC4-chloro-2-hydroxy-N-(pyridin-4-ylmethylideneamino)benzamide
SMILESO=C(NN=Cc1ccncc1)c1ccc(Cl)cc1O
InChIInChI=1S/C13H10ClN3O2/c14-10-1-2-11(12(18)7-10)13(19)17-16-8-9-3-5-15-6-4-9/h1-8,18H,(H,17,19)
InChIKeyFLXYFNQQFSDPDK-UHFFFAOYSA-N
MW275.70 g/mol
LogP2.20
Rot. Bonds3

About 4-chloro-2-hydroxy-N-(pyridin-4-ylmethylideneamino)benzamide

4-chloro-2-hydroxy-N-(pyridin-4-ylmethylideneamino)benzamide (PubChem CID 867441) has the molecular formula C13H10ClN3O2 and a molecular weight of 275.70 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-N-(pyridin-4-ylmethylideneamino)benzamide.

Molecular Properties

Compound Name4-chloro-2-hydroxy-N-(pyridin-4-ylmethylideneamino)benzamide
PubChem CID867441
Molecular FormulaC13H10ClN3O2
Molecular Weight275.70 g/mol
Exact Mass275.05
IUPAC Name4-chloro-2-hydroxy-N-(pyridin-4-ylmethylideneamino)benzamide
SMILESO=C(NN=Cc1ccncc1)c1ccc(Cl)cc1O
InChIInChI=1S/C13H10ClN3O2/c14-10-1-2-11(12(18)7-10)13(19)17-16-8-9-3-5-15-6-4-9/h1-8,18H,(H,17,19)
InChIKeyFLXYFNQQFSDPDK-UHFFFAOYSA-N
XLogP2.20
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

2-chloro-4-methyl-N-(pyridin-4-ylmethylideneamino)benzamide
CID 71952051
4-chloro-2-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5412255
4-chloro-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 5405746
N-[(E)-(4-chlorophenyl)methylideneamino]pyridine-4-carboxamide;hydrate
CID 21204570
4-chloro-N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-hydroxybenzamide
CID 5333194
4-chloro-2-N-[(4-fluorophenyl)methylideneamino]benzene-1,2-dicarboxamide
CID 67494565
2,4-dichloro-N-[3-methyl-1-oxo-1-[2-(pyridin-4-ylmethylidene)hydrazinyl]butan-2-yl]benzamide
CID 4277524
1-[(Z)-pyridin-4-ylmethylideneamino]-3-[(E)-pyridin-4-ylmethylideneamino]urea
CID 54600785
5-amino-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-hydroxybenzamide
CID 5410349
2-(3-chlorophenyl)-N-(pyridin-4-ylmethylideneamino)acetamide
CID 90766440
4-N,6-N-bis(pyridin-4-ylmethylideneamino)pyrimidine-4,6-dicarboxamide
CID 158525802
N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxy-N-(pyridin-4-ylmethylideneamino)benzamide?
The IUPAC name of 4-chloro-2-hydroxy-N-(pyridin-4-ylmethylideneamino)benzamide (CID 867441) is 4-chloro-2-hydroxy-N-(pyridin-4-ylmethylideneamino)benzamide.
What is the SMILES notation for 4-chloro-2-hydroxy-N-(pyridin-4-ylmethylideneamino)benzamide?
The canonical SMILES for 4-chloro-2-hydroxy-N-(pyridin-4-ylmethylideneamino)benzamide is O=C(NN=Cc1ccncc1)c1ccc(Cl)cc1O.
What is the InChIKey of 4-chloro-2-hydroxy-N-(pyridin-4-ylmethylideneamino)benzamide?
The InChIKey is FLXYFNQQFSDPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2/c14-10-1-2-11(12(18)7-10)13(19)17-16-8-9-3-5-15-6-4-9/h1-8,18H,(H,17,19).
What are the key properties of 4-chloro-2-hydroxy-N-(pyridin-4-ylmethylideneamino)benzamide?
4-chloro-2-hydroxy-N-(pyridin-4-ylmethylideneamino)benzamide has a molecular weight of 275.70 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hydroxy-N-(pyridin-4-ylmethylideneamino)benzamide is sourced from PubChem (CID 867441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).