2-aminopyridine-3-carboxylate

C6H5N2O2- — CID 4116530

IUPAC2-aminopyridine-3-carboxylate
SMILESNc1ncccc1C(=O)[O-]
InChIInChI=1S/C6H6N2O2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H2,7,8)(H,9,10)/p-1
InChIKeyKPIVDNYJNOPGBE-UHFFFAOYSA-M
MW137.12 g/mol
LogP-0.97
Rot. Bonds1

About 2-aminopyridine-3-carboxylate

2-aminopyridine-3-carboxylate (PubChem CID 4116530) has the molecular formula C6H5N2O2- and a molecular weight of 137.12 g/mol. Its IUPAC name is 2-aminopyridine-3-carboxylate.

Molecular Properties

Compound Name2-aminopyridine-3-carboxylate
PubChem CID4116530
Molecular FormulaC6H5N2O2-
Molecular Weight137.12 g/mol
Exact Mass137.04
IUPAC Name2-aminopyridine-3-carboxylate
SMILESNc1ncccc1C(=O)[O-]
InChIInChI=1S/C6H6N2O2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H2,7,8)(H,9,10)/p-1
InChIKeyKPIVDNYJNOPGBE-UHFFFAOYSA-M
XLogP-0.97
TPSA79.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.12
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-3-pyridinyl)-2-chloroethanone
CID 88729887
2-amino-N-tert-butylpyridine-3-carboxamide
CID 59768561
1-(2-amino-3-pyridinyl)-2-hydroxy-3-methylbutan-1-one
CID 103455369
2-amino-N'-methylpyridine-3-carbohydrazide
CID 86158893
bis(ethane-1,2-diamine);bis(palladium(2+));bis(pyridine-2,3-dicarboxylate);tetrahydrate
CID 139158745
2-amino-N',N'-dimethylpyridine-3-carbohydrazide
CID 83024659
8-aminoquinoline-5-carboxylate
CID 131744145
(1-aminocyclobutyl)-(2-amino-3-pyridinyl)methanone
CID 116598621
1-(2-amino-3-pyridinyl)-3-ethylpent-2-en-1-one
CID 103458902
2-(2-amino-3-pyridinyl)-2-iminoacetyl chloride
CID 144993767
3-amino-1-(2-amino-3-pyridinyl)butan-1-one
CID 116556036
2-aminobenzoate
CID 5459842

Frequently Asked Questions

What is the IUPAC name of 2-aminopyridine-3-carboxylate?
The IUPAC name of 2-aminopyridine-3-carboxylate (CID 4116530) is 2-aminopyridine-3-carboxylate.
What is the SMILES notation for 2-aminopyridine-3-carboxylate?
The canonical SMILES for 2-aminopyridine-3-carboxylate is Nc1ncccc1C(=O)[O-].
What is the InChIKey of 2-aminopyridine-3-carboxylate?
The InChIKey is KPIVDNYJNOPGBE-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6N2O2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H2,7,8)(H,9,10)/p-1.
What are the key properties of 2-aminopyridine-3-carboxylate?
2-aminopyridine-3-carboxylate has a molecular weight of 137.12 g/mol, XLogP of -0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopyridine-3-carboxylate is sourced from PubChem (CID 4116530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).