methyl 2-hydroxy-3-(pyridin-2-ylamino)benzoate

C13H12N2O3 — CID 70821740

IUPACmethyl 2-hydroxy-3-(pyridin-2-ylamino)benzoate
SMILESCOC(=O)c1cccc(Nc2ccccn2)c1O
InChIInChI=1S/C13H12N2O3/c1-18-13(17)9-5-4-6-10(12(9)16)15-11-7-2-3-8-14-11/h2-8,16H,1H3,(H,14,15)
InChIKeyKGKRRNIVGYLWPZ-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.32
Rot. Bonds3

About methyl 2-hydroxy-3-(pyridin-2-ylamino)benzoate

methyl 2-hydroxy-3-(pyridin-2-ylamino)benzoate (PubChem CID 70821740) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is methyl 2-hydroxy-3-(pyridin-2-ylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-(pyridin-2-ylamino)benzoate
PubChem CID70821740
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Namemethyl 2-hydroxy-3-(pyridin-2-ylamino)benzoate
SMILESCOC(=O)c1cccc(Nc2ccccn2)c1O
InChIInChI=1S/C13H12N2O3/c1-18-13(17)9-5-4-6-10(12(9)16)15-11-7-2-3-8-14-11/h2-8,16H,1H3,(H,14,15)
InChIKeyKGKRRNIVGYLWPZ-UHFFFAOYSA-N
XLogP2.32
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

methyl 2-carbamoyl-6-(pyridin-2-ylamino)benzoate
CID 22076450
methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-hydroxybenzoate
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methyl 2-hydroxy-3-(methanesulfonamido)benzoate
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methyl 2-hydroxy-3-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]benzoate
CID 136700005
methyl 3-(2,2-dimethylpropanoylamino)-2-hydroxybenzoate
CID 23520841
methyl 3-[(2-bromobenzoyl)amino]-2-hydroxybenzoate
CID 108768060
methyl 2-hydroxy-3-[(2-phenylacetyl)amino]benzoate
CID 108768071
methanol;methyl 2-methylpyridine-3-carboxylate
CID 174704345
CID 87392386
CID 87392386
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 3-[(2-chloroacetyl)amino]-2-hydroxybenzoate
CID 50989106
methyl 3-[(2,2-diphenylacetyl)amino]-2-hydroxybenzoate
CID 108768055

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-(pyridin-2-ylamino)benzoate?
The IUPAC name of methyl 2-hydroxy-3-(pyridin-2-ylamino)benzoate (CID 70821740) is methyl 2-hydroxy-3-(pyridin-2-ylamino)benzoate.
What is the SMILES notation for methyl 2-hydroxy-3-(pyridin-2-ylamino)benzoate?
The canonical SMILES for methyl 2-hydroxy-3-(pyridin-2-ylamino)benzoate is COC(=O)c1cccc(Nc2ccccn2)c1O.
What is the InChIKey of methyl 2-hydroxy-3-(pyridin-2-ylamino)benzoate?
The InChIKey is KGKRRNIVGYLWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-18-13(17)9-5-4-6-10(12(9)16)15-11-7-2-3-8-14-11/h2-8,16H,1H3,(H,14,15).
What are the key properties of methyl 2-hydroxy-3-(pyridin-2-ylamino)benzoate?
methyl 2-hydroxy-3-(pyridin-2-ylamino)benzoate has a molecular weight of 244.25 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-(pyridin-2-ylamino)benzoate is sourced from PubChem (CID 70821740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).