[(2-amino-6-chloro-3-pyridinyl)amino] benzoate

C12H10ClN3O2 — CID 163578062

IUPAC[(2-amino-6-chloro-3-pyridinyl)amino] benzoate
SMILESNc1nc(Cl)ccc1NOC(=O)c1ccccc1
InChIInChI=1S/C12H10ClN3O2/c13-10-7-6-9(11(14)15-10)16-18-12(17)8-4-2-1-3-5-8/h1-7,16H,(H2,14,15)
InChIKeyGFFWPAZTRXWTQD-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.50
Rot. Bonds3

About [(2-amino-6-chloro-3-pyridinyl)amino] benzoate

[(2-amino-6-chloro-3-pyridinyl)amino] benzoate (PubChem CID 163578062) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is [(2-amino-6-chloro-3-pyridinyl)amino] benzoate.

Molecular Properties

Compound Name[(2-amino-6-chloro-3-pyridinyl)amino] benzoate
PubChem CID163578062
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name[(2-amino-6-chloro-3-pyridinyl)amino] benzoate
SMILESNc1nc(Cl)ccc1NOC(=O)c1ccccc1
InChIInChI=1S/C12H10ClN3O2/c13-10-7-6-9(11(14)15-10)16-18-12(17)8-4-2-1-3-5-8/h1-7,16H,(H2,14,15)
InChIKeyGFFWPAZTRXWTQD-UHFFFAOYSA-N
XLogP2.50
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[[4,6-bis(benzoyloxyamino)-1,3,5-triazin-2-yl]amino] benzoate
CID 90935192
(2,6-dichloroanilino) benzoate
CID 174870621
(2,6-dichloroanilino) benzoate;hydrochloride
CID 174870620
(quinolin-4-ylamino) benzoate
CID 23468711
[(4,6-dimethylpyrimidin-2-yl)amino] benzoate
CID 14045751
N-(2-benzoyl-6-chloro-3-pyridinyl)benzamide
CID 21448723
(1,3-thiazol-2-ylamino) benzoate
CID 174937063
lithium;2-amino-6-chloropyridine-3-carboxylic acid;hydride
CID 173014612
4-anilinooxycarbonylbenzoic acid
CID 154089254
N-(2-amino-6-anilino-3-pyridinyl)-6-chloropyridine-3-carboxamide
CID 110177262
N-[(2,6-dichloro-3-pyridinyl)carbamothioyl]benzamide
CID 13415572
[[6-chloro-2-(4-methylphenyl)quinazolin-4-yl]amino] benzoate
CID 46934253

Frequently Asked Questions

What is the IUPAC name of [(2-amino-6-chloro-3-pyridinyl)amino] benzoate?
The IUPAC name of [(2-amino-6-chloro-3-pyridinyl)amino] benzoate (CID 163578062) is [(2-amino-6-chloro-3-pyridinyl)amino] benzoate.
What is the SMILES notation for [(2-amino-6-chloro-3-pyridinyl)amino] benzoate?
The canonical SMILES for [(2-amino-6-chloro-3-pyridinyl)amino] benzoate is Nc1nc(Cl)ccc1NOC(=O)c1ccccc1.
What is the InChIKey of [(2-amino-6-chloro-3-pyridinyl)amino] benzoate?
The InChIKey is GFFWPAZTRXWTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c13-10-7-6-9(11(14)15-10)16-18-12(17)8-4-2-1-3-5-8/h1-7,16H,(H2,14,15).
What are the key properties of [(2-amino-6-chloro-3-pyridinyl)amino] benzoate?
[(2-amino-6-chloro-3-pyridinyl)amino] benzoate has a molecular weight of 263.68 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-amino-6-chloro-3-pyridinyl)amino] benzoate is sourced from PubChem (CID 163578062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).