5-chloro-2-hydroxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide

C14H12ClN3O2 — CID 5416440

IUPAC5-chloro-2-hydroxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1cc(Cl)ccc1O)c1ccccn1
InChIInChI=1S/C14H12ClN3O2/c1-9(12-4-2-3-7-16-12)17-18-14(20)11-8-10(15)5-6-13(11)19/h2-8,19H,1H3,(H,18,20)/b17-9-
InChIKeyVMQGYNDLPJZBRD-MFOYZWKCSA-N
MW289.72 g/mol
LogP2.59
Rot. Bonds3

About 5-chloro-2-hydroxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide

5-chloro-2-hydroxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide (PubChem CID 5416440) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
PubChem CID5416440
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name5-chloro-2-hydroxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1cc(Cl)ccc1O)c1ccccn1
InChIInChI=1S/C14H12ClN3O2/c1-9(12-4-2-3-7-16-12)17-18-14(20)11-8-10(15)5-6-13(11)19/h2-8,19H,1H3,(H,18,20)/b17-9-
InChIKeyVMQGYNDLPJZBRD-MFOYZWKCSA-N
XLogP2.59
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.59
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-hydroxy-5-iodo-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 1352694
2,4-dihydroxy-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 872905
N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-2-carboxamide
CID 5402845
3,4-dichloro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 773914
N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 135578375
5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-hydroxybenzamide
CID 3386192
N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-5-chloro-2-hydroxybenzamide
CID 9297796
N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 8826111
5-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 5154909
N-[(Z)-[amino(pyridin-2-yl)methylidene]amino]-2-hydroxybenzamide
CID 15777277
N-[(Z)-1-(2,6-dichloro-3-fluorophenyl)ethylideneamino]pyridine-2-carboxamide
CID 8971589
4-(2,4-dichlorophenoxy)-N-(1-pyridin-2-ylethylideneamino)butanamide
CID 4276592

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide (CID 5416440) is 5-chloro-2-hydroxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide is C/C(=N/NC(=O)c1cc(Cl)ccc1O)c1ccccn1.
What is the InChIKey of 5-chloro-2-hydroxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide?
The InChIKey is VMQGYNDLPJZBRD-MFOYZWKCSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c1-9(12-4-2-3-7-16-12)17-18-14(20)11-8-10(15)5-6-13(11)19/h2-8,19H,1H3,(H,18,20)/b17-9-.
What are the key properties of 5-chloro-2-hydroxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide?
5-chloro-2-hydroxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide has a molecular weight of 289.72 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide is sourced from PubChem (CID 5416440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).