1-bromo-N'-hydroxyimidazo[1,5-a]pyridine-3-carboximidamide

C8H7BrN4O — CID 137201161

IUPAC1-bromo-N'-hydroxyimidazo[1,5-a]pyridine-3-carboximidamide
SMILESNC(=NO)c1nc(Br)c2ccccn12
InChIInChI=1S/C8H7BrN4O/c9-6-5-3-1-2-4-13(5)8(11-6)7(10)12-14/h1-4,14H,(H2,10,12)
InChIKeyIDZFHLGZDIGPDG-UHFFFAOYSA-N
MW255.07 g/mol
LogP1.19
Rot. Bonds1

About 1-bromo-N'-hydroxyimidazo[1,5-a]pyridine-3-carboximidamide

1-bromo-N'-hydroxyimidazo[1,5-a]pyridine-3-carboximidamide (PubChem CID 137201161) has the molecular formula C8H7BrN4O and a molecular weight of 255.07 g/mol. Its IUPAC name is 1-bromo-N'-hydroxyimidazo[1,5-a]pyridine-3-carboximidamide.

Molecular Properties

Compound Name1-bromo-N'-hydroxyimidazo[1,5-a]pyridine-3-carboximidamide
PubChem CID137201161
Molecular FormulaC8H7BrN4O
Molecular Weight255.07 g/mol
Exact Mass253.98
IUPAC Name1-bromo-N'-hydroxyimidazo[1,5-a]pyridine-3-carboximidamide
SMILESNC(=NO)c1nc(Br)c2ccccn12
InChIInChI=1S/C8H7BrN4O/c9-6-5-3-1-2-4-13(5)8(11-6)7(10)12-14/h1-4,14H,(H2,10,12)
InChIKeyIDZFHLGZDIGPDG-UHFFFAOYSA-N
XLogP1.19
TPSA75.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 51.19
H-Bond Donors ≤ 52
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

1-bromo-3-tert-butylimidazo[1,5-a]pyridine
CID 4738514
1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine
CID 28798022
N'-hydroxy-1-methylimidazo[4,5-b]pyridine-2-carboximidamide
CID 135456631
1-bromo-3-(2,3,5,6-tetramethylphenyl)imidazo[1,5-a]pyridine
CID 116836587
(2E)-1-(1-bromoimidazo[1,5-a]pyridin-3-yl)-2-[(E)-1,1,1-trifluorobut-2-en-2-yl]penta-2,4-dien-1-one
CID 144805669
1-bromo-N-[[3-[(dimethylamino)methyl]phenyl]methyl]imidazo[1,5-a]pyridine-3-carboxamide
CID 166361870
1-bromo-3-(1H-pyrrol-3-yl)imidazo[1,5-a]pyridine
CID 137014798
1-bromo-3-(3,4-dimethoxyphenyl)imidazo[1,5-a]pyridine
CID 28798088
3-(1-bromoimidazo[1,5-a]pyridin-3-yl)butanoic acid
CID 116984856
1-bromo-3-piperidin-4-ylimidazo[1,5-a]pyridine
CID 84743441
methyl 1-(1-bromoimidazo[1,5-a]pyridin-3-yl)cyclopropane-1-carboxylate
CID 116984907
1-bromo-3-(2,4-difluorophenyl)imidazo[1,5-a]pyridine
CID 116836595

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N'-hydroxyimidazo[1,5-a]pyridine-3-carboximidamide?
The IUPAC name of 1-bromo-N'-hydroxyimidazo[1,5-a]pyridine-3-carboximidamide (CID 137201161) is 1-bromo-N'-hydroxyimidazo[1,5-a]pyridine-3-carboximidamide.
What is the SMILES notation for 1-bromo-N'-hydroxyimidazo[1,5-a]pyridine-3-carboximidamide?
The canonical SMILES for 1-bromo-N'-hydroxyimidazo[1,5-a]pyridine-3-carboximidamide is NC(=NO)c1nc(Br)c2ccccn12.
What is the InChIKey of 1-bromo-N'-hydroxyimidazo[1,5-a]pyridine-3-carboximidamide?
The InChIKey is IDZFHLGZDIGPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4O/c9-6-5-3-1-2-4-13(5)8(11-6)7(10)12-14/h1-4,14H,(H2,10,12).
What are the key properties of 1-bromo-N'-hydroxyimidazo[1,5-a]pyridine-3-carboximidamide?
1-bromo-N'-hydroxyimidazo[1,5-a]pyridine-3-carboximidamide has a molecular weight of 255.07 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N'-hydroxyimidazo[1,5-a]pyridine-3-carboximidamide is sourced from PubChem (CID 137201161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).