nitroso 2-aminopyridine-4-carboxylate

C6H5N3O3 — CID 175017492

IUPACnitroso 2-aminopyridine-4-carboxylate
SMILESNc1cc(C(=O)ON=O)ccn1
InChIInChI=1S/C6H5N3O3/c7-5-3-4(1-2-8-5)6(10)12-9-11/h1-3H,(H2,7,8)
InChIKeyHIMLVEGFCBOZDO-UHFFFAOYSA-N
MW167.12 g/mol
LogP0.50
Rot. Bonds2

About nitroso 2-aminopyridine-4-carboxylate

nitroso 2-aminopyridine-4-carboxylate (PubChem CID 175017492) has the molecular formula C6H5N3O3 and a molecular weight of 167.12 g/mol. Its IUPAC name is nitroso 2-aminopyridine-4-carboxylate.

Molecular Properties

Compound Namenitroso 2-aminopyridine-4-carboxylate
PubChem CID175017492
Molecular FormulaC6H5N3O3
Molecular Weight167.12 g/mol
Exact Mass167.03
IUPAC Namenitroso 2-aminopyridine-4-carboxylate
SMILESNc1cc(C(=O)ON=O)ccn1
InChIInChI=1S/C6H5N3O3/c7-5-3-4(1-2-8-5)6(10)12-9-11/h1-3H,(H2,7,8)
InChIKeyHIMLVEGFCBOZDO-UHFFFAOYSA-N
XLogP0.50
TPSA94.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.12
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-4-pyridinyl)ethanone
CID 13145258
2-amino-N'-methylpyridine-4-carboximidamide
CID 140770107
(2-bromophenyl)methyl 2-aminopyridine-4-carboxylate
CID 82824073
(3,4-dimethylcyclohexyl) 2-aminopyridine-4-carboxylate
CID 64746905
2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)pyridine-4-carboxamide
CID 62184832
methyl 3-(2-amino-4-pyridinyl)benzoate
CID 82556028
2-amino-N-(1H-pyrazol-4-yl)pyridine-4-carboxamide
CID 62154464
2-amino-N-cyclopentylpyridine-4-carboxamide
CID 62154850
2-amino-N-(3-methylpentan-2-yl)pyridine-4-carboxamide
CID 62160554
2-amino-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
CID 62151990
[[amino(pyridin-4-yl)methylidene]amino] 3,4-dimethoxybenzoate
CID 3146337
2-amino-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 62154696

Frequently Asked Questions

What is the IUPAC name of nitroso 2-aminopyridine-4-carboxylate?
The IUPAC name of nitroso 2-aminopyridine-4-carboxylate (CID 175017492) is nitroso 2-aminopyridine-4-carboxylate.
What is the SMILES notation for nitroso 2-aminopyridine-4-carboxylate?
The canonical SMILES for nitroso 2-aminopyridine-4-carboxylate is Nc1cc(C(=O)ON=O)ccn1.
What is the InChIKey of nitroso 2-aminopyridine-4-carboxylate?
The InChIKey is HIMLVEGFCBOZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O3/c7-5-3-4(1-2-8-5)6(10)12-9-11/h1-3H,(H2,7,8).
What are the key properties of nitroso 2-aminopyridine-4-carboxylate?
nitroso 2-aminopyridine-4-carboxylate has a molecular weight of 167.12 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for nitroso 2-aminopyridine-4-carboxylate is sourced from PubChem (CID 175017492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).