N'-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carboximidamide

C8H8N4O — CID 137244743

IUPACN'-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carboximidamide
SMILESNC(=NO)c1c[nH]c2ncccc12
InChIInChI=1S/C8H8N4O/c9-7(12-13)6-4-11-8-5(6)2-1-3-10-8/h1-4,13H,(H2,9,12)(H,10,11)
InChIKeyQTSGMIRQYLUCAI-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.66
Rot. Bonds1

About N'-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carboximidamide

N'-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carboximidamide (PubChem CID 137244743) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is N'-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carboximidamide
PubChem CID137244743
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC NameN'-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carboximidamide
SMILESNC(=NO)c1c[nH]c2ncccc12
InChIInChI=1S/C8H8N4O/c9-7(12-13)6-4-11-8-5(6)2-1-3-10-8/h1-4,13H,(H2,9,12)(H,10,11)
InChIKeyQTSGMIRQYLUCAI-UHFFFAOYSA-N
XLogP0.66
TPSA87.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 12778217
pyridin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506817
2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one
CID 43161303
phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 10998603
1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide
CID 146591530
N-[amino(1H-pyrrolo[2,3-b]pyridin-3-yl)methylidene]-3-hydroxypropanamide;4-fluorobenzamide
CID 145159424
(2-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506825
(2-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339358
2,2,3,3,3-pentafluoro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one
CID 114037995
ethane;1H-pyrrolo[2,3-b]pyridin-3-amine
CID 142426313
N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 161285453

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carboximidamide (CID 137244743) is N'-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carboximidamide is NC(=NO)c1c[nH]c2ncccc12.
What is the InChIKey of N'-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carboximidamide?
The InChIKey is QTSGMIRQYLUCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c9-7(12-13)6-4-11-8-5(6)2-1-3-10-8/h1-4,13H,(H2,9,12)(H,10,11).
What are the key properties of N'-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carboximidamide?
N'-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carboximidamide has a molecular weight of 176.18 g/mol, XLogP of 0.66, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1H-pyrrolo[2,3-b]pyridine-3-carboximidamide is sourced from PubChem (CID 137244743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).