2-amino-N-(6-chloro-3-pyridinyl)-4-hydroxybenzamide

C12H10ClN3O2 — CID 150110924

IUPAC2-amino-N-(6-chloro-3-pyridinyl)-4-hydroxybenzamide
SMILESNc1cc(O)ccc1C(=O)Nc1ccc(Cl)nc1
InChIInChI=1S/C12H10ClN3O2/c13-11-4-1-7(6-15-11)16-12(18)9-3-2-8(17)5-10(9)14/h1-6,17H,14H2,(H,16,18)
InChIKeyDXFSBVRVXIZWFO-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.28
Rot. Bonds2

About 2-amino-N-(6-chloro-3-pyridinyl)-4-hydroxybenzamide

2-amino-N-(6-chloro-3-pyridinyl)-4-hydroxybenzamide (PubChem CID 150110924) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 2-amino-N-(6-chloro-3-pyridinyl)-4-hydroxybenzamide.

Molecular Properties

Compound Name2-amino-N-(6-chloro-3-pyridinyl)-4-hydroxybenzamide
PubChem CID150110924
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name2-amino-N-(6-chloro-3-pyridinyl)-4-hydroxybenzamide
SMILESNc1cc(O)ccc1C(=O)Nc1ccc(Cl)nc1
InChIInChI=1S/C12H10ClN3O2/c13-11-4-1-7(6-15-11)16-12(18)9-3-2-8(17)5-10(9)14/h1-6,17H,14H2,(H,16,18)
InChIKeyDXFSBVRVXIZWFO-UHFFFAOYSA-N
XLogP2.28
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(6-chloro-3-pyridinyl)-4-hydroxybenzamide?
The IUPAC name of 2-amino-N-(6-chloro-3-pyridinyl)-4-hydroxybenzamide (CID 150110924) is 2-amino-N-(6-chloro-3-pyridinyl)-4-hydroxybenzamide.
What is the SMILES notation for 2-amino-N-(6-chloro-3-pyridinyl)-4-hydroxybenzamide?
The canonical SMILES for 2-amino-N-(6-chloro-3-pyridinyl)-4-hydroxybenzamide is Nc1cc(O)ccc1C(=O)Nc1ccc(Cl)nc1.
What is the InChIKey of 2-amino-N-(6-chloro-3-pyridinyl)-4-hydroxybenzamide?
The InChIKey is DXFSBVRVXIZWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c13-11-4-1-7(6-15-11)16-12(18)9-3-2-8(17)5-10(9)14/h1-6,17H,14H2,(H,16,18).
What are the key properties of 2-amino-N-(6-chloro-3-pyridinyl)-4-hydroxybenzamide?
2-amino-N-(6-chloro-3-pyridinyl)-4-hydroxybenzamide has a molecular weight of 263.68 g/mol, XLogP of 2.28, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(6-chloro-3-pyridinyl)-4-hydroxybenzamide is sourced from PubChem (CID 150110924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).