N-(5-bromo-2,4-difluorophenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide

C13H8BrF2N5O — CID 122704363

IUPACN-(5-bromo-2,4-difluorophenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide
SMILES[H]/N=C(/c1ccnc2nc[nH]c12)N(O)c1cc(Br)c(F)cc1F
InChIInChI=1S/C13H8BrF2N5O/c14-7-3-10(9(16)4-8(7)15)21(22)12(17)6-1-2-18-13-11(6)19-5-20-13/h1-5,17,22H,(H,18,19,20)/b17-12-
InChIKeyAAABXCZKRZSSNG-ATVHPVEESA-N
MW368.14 g/mol
LogP3.22
Rot. Bonds2

About N-(5-bromo-2,4-difluorophenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide

N-(5-bromo-2,4-difluorophenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide (PubChem CID 122704363) has the molecular formula C13H8BrF2N5O and a molecular weight of 368.14 g/mol. Its IUPAC name is N-(5-bromo-2,4-difluorophenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide.

Molecular Properties

Compound NameN-(5-bromo-2,4-difluorophenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide
PubChem CID122704363
Molecular FormulaC13H8BrF2N5O
Molecular Weight368.14 g/mol
Exact Mass366.99
IUPAC NameN-(5-bromo-2,4-difluorophenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide
SMILES[H]/N=C(/c1ccnc2nc[nH]c12)N(O)c1cc(Br)c(F)cc1F
InChIInChI=1S/C13H8BrF2N5O/c14-7-3-10(9(16)4-8(7)15)21(22)12(17)6-1-2-18-13-11(6)19-5-20-13/h1-5,17,22H,(H,18,19,20)/b17-12-
InChIKeyAAABXCZKRZSSNG-ATVHPVEESA-N
XLogP3.22
TPSA88.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.14
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-fluoro-5-(trifluoromethyl)phenyl]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 122704458
N-(3-but-1-ynyl-4-fluorophenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 122704437
N-(3-bromophenyl)-N-hydroxy-2-(methylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 122704520
7-fluoro-1H-imidazo[4,5-b]pyridine
CID 119084499
[7-[N-(3-chloro-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1H-imidazo[4,5-b]pyridin-2-yl]carbamic acid
CID 122704305
N-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[hydroxy(phenyl)methyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 122704493
N-(3-chloro-4-fluorophenyl)-N-hydroxy-2-(1H-imidazol-5-ylmethylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 122704350
N-(3-chloro-4-fluorophenyl)-N-hydroxy-2-(pyrrolidin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 139503041
N-(3-chloro-4-fluorophenyl)-N-methyl-1H-imidazo[4,5-b]pyridine-7-carbothioamide
CID 122686940
3-[[7-[N-(3-chloro-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1H-imidazo[4,5-b]pyridin-2-yl]amino]propylcarbamic acid
CID 122704237
N-(3-bromophenyl)-N-hydroxy-2-(2-methylsulfonylethylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 122704591
N-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[2-(sulfamoylamino)ethyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 122704432

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,4-difluorophenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
The IUPAC name of N-(5-bromo-2,4-difluorophenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide (CID 122704363) is N-(5-bromo-2,4-difluorophenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide.
What is the SMILES notation for N-(5-bromo-2,4-difluorophenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
The canonical SMILES for N-(5-bromo-2,4-difluorophenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide is [H]/N=C(/c1ccnc2nc[nH]c12)N(O)c1cc(Br)c(F)cc1F.
What is the InChIKey of N-(5-bromo-2,4-difluorophenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
The InChIKey is AAABXCZKRZSSNG-ATVHPVEESA-N. The full InChI is InChI=1S/C13H8BrF2N5O/c14-7-3-10(9(16)4-8(7)15)21(22)12(17)6-1-2-18-13-11(6)19-5-20-13/h1-5,17,22H,(H,18,19,20)/b17-12-.
What are the key properties of N-(5-bromo-2,4-difluorophenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
N-(5-bromo-2,4-difluorophenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide has a molecular weight of 368.14 g/mol, XLogP of 3.22, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,4-difluorophenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide is sourced from PubChem (CID 122704363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).