N-[(E)-(2-chloro-3-pyridinyl)methylideneamino]-2-hydroxybenzamide

C13H10ClN3O2 — CID 44506498

IUPACN-[(E)-(2-chloro-3-pyridinyl)methylideneamino]-2-hydroxybenzamide
SMILESO=C(N/N=C/c1cccnc1Cl)c1ccccc1O
InChIInChI=1S/C13H10ClN3O2/c14-12-9(4-3-7-15-12)8-16-17-13(19)10-5-1-2-6-11(10)18/h1-8,18H,(H,17,19)/b16-8+
InChIKeyNGEFYNPFTYPFDB-LZYBPNLTSA-N
MW275.70 g/mol
LogP2.20
Rot. Bonds3

About N-[(E)-(2-chloro-3-pyridinyl)methylideneamino]-2-hydroxybenzamide

N-[(E)-(2-chloro-3-pyridinyl)methylideneamino]-2-hydroxybenzamide (PubChem CID 44506498) has the molecular formula C13H10ClN3O2 and a molecular weight of 275.70 g/mol. Its IUPAC name is N-[(E)-(2-chloro-3-pyridinyl)methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-(2-chloro-3-pyridinyl)methylideneamino]-2-hydroxybenzamide
PubChem CID44506498
Molecular FormulaC13H10ClN3O2
Molecular Weight275.70 g/mol
Exact Mass275.05
IUPAC NameN-[(E)-(2-chloro-3-pyridinyl)methylideneamino]-2-hydroxybenzamide
SMILESO=C(N/N=C/c1cccnc1Cl)c1ccccc1O
InChIInChI=1S/C13H10ClN3O2/c14-12-9(4-3-7-15-12)8-16-17-13(19)10-5-1-2-6-11(10)18/h1-8,18H,(H,17,19)/b16-8+
InChIKeyNGEFYNPFTYPFDB-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(2-chloro-3-pyridinyl)methylideneamino]-2-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chloro-3-pyridinyl)methylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[(E)-(2-chloro-3-pyridinyl)methylideneamino]-2-hydroxybenzamide (CID 44506498) is N-[(E)-(2-chloro-3-pyridinyl)methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(E)-(2-chloro-3-pyridinyl)methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[(E)-(2-chloro-3-pyridinyl)methylideneamino]-2-hydroxybenzamide is O=C(N/N=C/c1cccnc1Cl)c1ccccc1O.
What is the InChIKey of N-[(E)-(2-chloro-3-pyridinyl)methylideneamino]-2-hydroxybenzamide?
The InChIKey is NGEFYNPFTYPFDB-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H10ClN3O2/c14-12-9(4-3-7-15-12)8-16-17-13(19)10-5-1-2-6-11(10)18/h1-8,18H,(H,17,19)/b16-8+.
What are the key properties of N-[(E)-(2-chloro-3-pyridinyl)methylideneamino]-2-hydroxybenzamide?
N-[(E)-(2-chloro-3-pyridinyl)methylideneamino]-2-hydroxybenzamide 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 N-[(E)-(2-chloro-3-pyridinyl)methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 44506498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).