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

C13H10ClN3O — CID 6792924

IUPAC4-chloro-N-[(E)-pyridin-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1ccccn1)c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClN3O/c14-11-6-4-10(5-7-11)13(18)17-16-9-12-3-1-2-8-15-12/h1-9H,(H,17,18)/b16-9+
InChIKeyOSEOOXCLAYRSPE-CXUHLZMHSA-N
MW259.70 g/mol
LogP2.50
Rot. Bonds3

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

4-chloro-N-[(E)-pyridin-2-ylmethylideneamino]benzamide (PubChem CID 6792924) has the molecular formula C13H10ClN3O and a molecular weight of 259.70 g/mol. Its IUPAC name is 4-chloro-N-[(E)-pyridin-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-pyridin-2-ylmethylideneamino]benzamide
PubChem CID6792924
Molecular FormulaC13H10ClN3O
Molecular Weight259.70 g/mol
Exact Mass259.05
IUPAC Name4-chloro-N-[(E)-pyridin-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1ccccn1)c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClN3O/c14-11-6-4-10(5-7-11)13(18)17-16-9-12-3-1-2-8-15-12/h1-9H,(H,17,18)/b16-9+
InChIKeyOSEOOXCLAYRSPE-CXUHLZMHSA-N
XLogP2.50
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-N-[(E)-pyridin-2-ylmethylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(E)-pyridin-2-ylmethylideneamino]benzamide (CID 6792924) is 4-chloro-N-[(E)-pyridin-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(E)-pyridin-2-ylmethylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(E)-pyridin-2-ylmethylideneamino]benzamide is O=C(N/N=C/c1ccccn1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(E)-pyridin-2-ylmethylideneamino]benzamide?
The InChIKey is OSEOOXCLAYRSPE-CXUHLZMHSA-N. The full InChI is InChI=1S/C13H10ClN3O/c14-11-6-4-10(5-7-11)13(18)17-16-9-12-3-1-2-8-15-12/h1-9H,(H,17,18)/b16-9+.
What are the key properties of 4-chloro-N-[(E)-pyridin-2-ylmethylideneamino]benzamide?
4-chloro-N-[(E)-pyridin-2-ylmethylideneamino]benzamide has a molecular weight of 259.70 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-pyridin-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 6792924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).