4-chloro-2-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide

C13H10ClN3O2 — CID 5333806

IUPAC4-chloro-2-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1ccncc1)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)/b16-8+
InChIKeyFLXYFNQQFSDPDK-LZYBPNLTSA-N
MW275.70 g/mol
LogP2.20
Rot. Bonds3

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

4-chloro-2-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide (PubChem CID 5333806) has the molecular formula C13H10ClN3O2 and a molecular weight of 275.70 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-2-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
PubChem CID5333806
Molecular FormulaC13H10ClN3O2
Molecular Weight275.70 g/mol
Exact Mass275.05
IUPAC Name4-chloro-2-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1ccncc1)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)/b16-8+
InChIKeyFLXYFNQQFSDPDK-LZYBPNLTSA-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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide?
The IUPAC name of 4-chloro-2-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide (CID 5333806) is 4-chloro-2-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide.
What is the SMILES notation for 4-chloro-2-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide?
The canonical SMILES for 4-chloro-2-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide is O=C(N/N=C/c1ccncc1)c1ccc(Cl)cc1O.
What is the InChIKey of 4-chloro-2-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide?
The InChIKey is FLXYFNQQFSDPDK-LZYBPNLTSA-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)/b16-8+.
What are the key properties of 4-chloro-2-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide?
4-chloro-2-hydroxy-N-[(E)-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-[(E)-pyridin-4-ylmethylideneamino]benzamide is sourced from PubChem (CID 5333806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).