6-(N'-hydroxycarbamimidoyl)pyridine-2-carboxylic acid

C7H7N3O3 — CID 137133766

IUPAC6-(N'-hydroxycarbamimidoyl)pyridine-2-carboxylic acid
SMILESNC(=NO)c1cccc(C(=O)O)n1
InChIInChI=1S/C7H7N3O3/c8-6(10-13)4-2-1-3-5(9-4)7(11)12/h1-3,13H,(H2,8,10)(H,11,12)
InChIKeyFAYWAXROQKFJQH-UHFFFAOYSA-N
MW181.15 g/mol
LogP-0.13
Rot. Bonds2

About 6-(N'-hydroxycarbamimidoyl)pyridine-2-carboxylic acid

6-(N'-hydroxycarbamimidoyl)pyridine-2-carboxylic acid (PubChem CID 137133766) has the molecular formula C7H7N3O3 and a molecular weight of 181.15 g/mol. Its IUPAC name is 6-(N'-hydroxycarbamimidoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(N'-hydroxycarbamimidoyl)pyridine-2-carboxylic acid
PubChem CID137133766
Molecular FormulaC7H7N3O3
Molecular Weight181.15 g/mol
Exact Mass181.05
IUPAC Name6-(N'-hydroxycarbamimidoyl)pyridine-2-carboxylic acid
SMILESNC(=NO)c1cccc(C(=O)O)n1
InChIInChI=1S/C7H7N3O3/c8-6(10-13)4-2-1-3-5(9-4)7(11)12/h1-3,13H,(H2,8,10)(H,11,12)
InChIKeyFAYWAXROQKFJQH-UHFFFAOYSA-N
XLogP-0.13
TPSA108.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 91986542
CID 91986542
6-aminopyridine-2-carboxylic acid;nitrous acid
CID 175025795
6-[(E)-(6-carboxy-2-pyridinyl)diazenyl]pyridine-2-carboxylic acid
CID 134844060
6-(2,2,2-trifluoroacetyl)pyridine-2-carboxylic acid
CID 131581629
6-(1,3-dioxolan-2-yl)-N'-hydroxypyridine-2-carboximidamide
CID 135597455
6-(C-methyl-N-phenylcarbonimidoyl)pyridine-2-carboxylic acid
CID 118860122
6-(3-amino-3-oxoprop-1-enyl)pyridine-2-carboxylic acid
CID 169481846
6-[(Z)-3-hydroxyprop-2-enoyl]pyridine-2-carboxylic acid
CID 177483783
N'-hydroxy-6-[2-(2-methoxyethoxy)ethoxy]pyridine-2-carboximidamide
CID 136867043
6-acetylpyridine-2-carboxylic acid;6-ethanethioylpyridine-2-carboxylic acid
CID 144731400
6-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]pyridine-2-carboxylic acid
CID 55125535
N'-hydroxy-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboximidamide
CID 136868237

Frequently Asked Questions

What is the IUPAC name of 6-(N'-hydroxycarbamimidoyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(N'-hydroxycarbamimidoyl)pyridine-2-carboxylic acid (CID 137133766) is 6-(N'-hydroxycarbamimidoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(N'-hydroxycarbamimidoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(N'-hydroxycarbamimidoyl)pyridine-2-carboxylic acid is NC(=NO)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-(N'-hydroxycarbamimidoyl)pyridine-2-carboxylic acid?
The InChIKey is FAYWAXROQKFJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O3/c8-6(10-13)4-2-1-3-5(9-4)7(11)12/h1-3,13H,(H2,8,10)(H,11,12).
What are the key properties of 6-(N'-hydroxycarbamimidoyl)pyridine-2-carboxylic acid?
6-(N'-hydroxycarbamimidoyl)pyridine-2-carboxylic acid has a molecular weight of 181.15 g/mol, XLogP of -0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N'-hydroxycarbamimidoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 137133766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).