(2-amino-5-methoxycarbonyl-3-pyridinyl)oxyboronic acid

C7H9BN2O5 — CID 169224427

IUPAC(2-amino-5-methoxycarbonyl-3-pyridinyl)oxyboronic acid
SMILESCOC(=O)c1cnc(N)c(OB(O)O)c1
InChIInChI=1S/C7H9BN2O5/c1-14-7(11)4-2-5(15-8(12)13)6(9)10-3-4/h2-3,12-13H,1H3,(H2,9,10)
InChIKeyURDIDDZQFUSTQN-UHFFFAOYSA-N
MW211.97 g/mol
LogP-1.20
Rot. Bonds3

About (2-amino-5-methoxycarbonyl-3-pyridinyl)oxyboronic acid

(2-amino-5-methoxycarbonyl-3-pyridinyl)oxyboronic acid (PubChem CID 169224427) has the molecular formula C7H9BN2O5 and a molecular weight of 211.97 g/mol. Its IUPAC name is (2-amino-5-methoxycarbonyl-3-pyridinyl)oxyboronic acid.

Molecular Properties

Compound Name(2-amino-5-methoxycarbonyl-3-pyridinyl)oxyboronic acid
PubChem CID169224427
Molecular FormulaC7H9BN2O5
Molecular Weight211.97 g/mol
Exact Mass212.06
IUPAC Name(2-amino-5-methoxycarbonyl-3-pyridinyl)oxyboronic acid
SMILESCOC(=O)c1cnc(N)c(OB(O)O)c1
InChIInChI=1S/C7H9BN2O5/c1-14-7(11)4-2-5(15-8(12)13)6(9)10-3-4/h2-3,12-13H,1H3,(H2,9,10)
InChIKeyURDIDDZQFUSTQN-UHFFFAOYSA-N
XLogP-1.20
TPSA114.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.97
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-methoxycarbonylpyridine-3-carboxylic acid
CID 130066862
methyl 6-amino-5-[(1S,2S)-2-methylcyclopentyl]oxypyridine-3-carboxylate
CID 158116038
methyl 5-amino-6-(difluoromethyl)pyridine-3-carboxylate
CID 130094865
methyl 6-amino-5-nitropyridine-3-carboxylate;2-methylpropane
CID 143984971
methyl 5-amino-6-methylsulfanylpyridine-3-carboxylate
CID 23204634
methyl 6-acetamido-5-aminopyridine-3-carboxylate
CID 71100128
4-(2-amino-5-methoxycarbonyl-3-pyridinyl)-3,4-dihydroxybutanoic acid
CID 171878308
methyl 6-amino-5-(4-methoxy-4-oxobut-1-enyl)pyridine-3-carboxylate
CID 170501488
3-methoxy-5-methoxycarbonylpyridine-2-carboxylic acid
CID 22923874
methyl 6-amino-5-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 134635594
methyl 6-amino-5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylate
CID 171881890
methyl 6-amino-5-(4-bromobut-1-ynyl)pyridine-3-carboxylate
CID 170466695

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methoxycarbonyl-3-pyridinyl)oxyboronic acid?
The IUPAC name of (2-amino-5-methoxycarbonyl-3-pyridinyl)oxyboronic acid (CID 169224427) is (2-amino-5-methoxycarbonyl-3-pyridinyl)oxyboronic acid.
What is the SMILES notation for (2-amino-5-methoxycarbonyl-3-pyridinyl)oxyboronic acid?
The canonical SMILES for (2-amino-5-methoxycarbonyl-3-pyridinyl)oxyboronic acid is COC(=O)c1cnc(N)c(OB(O)O)c1.
What is the InChIKey of (2-amino-5-methoxycarbonyl-3-pyridinyl)oxyboronic acid?
The InChIKey is URDIDDZQFUSTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BN2O5/c1-14-7(11)4-2-5(15-8(12)13)6(9)10-3-4/h2-3,12-13H,1H3,(H2,9,10).
What are the key properties of (2-amino-5-methoxycarbonyl-3-pyridinyl)oxyboronic acid?
(2-amino-5-methoxycarbonyl-3-pyridinyl)oxyboronic acid has a molecular weight of 211.97 g/mol, XLogP of -1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-methoxycarbonyl-3-pyridinyl)oxyboronic acid is sourced from PubChem (CID 169224427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).