2-(3-bromophenoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide

C14H14BrN3O2 — CID 61176370

IUPAC2-(3-bromophenoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
SMILESCc1cc(C)c(C(N)=NO)c(Oc2cccc(Br)c2)n1
InChIInChI=1S/C14H14BrN3O2/c1-8-6-9(2)17-14(12(8)13(16)18-19)20-11-5-3-4-10(15)7-11/h3-7,19H,1-2H3,(H2,16,18)
InChIKeyLQCPTRXFNDQKCN-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.35
Rot. Bonds3

About 2-(3-bromophenoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide

2-(3-bromophenoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide (PubChem CID 61176370) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
PubChem CID61176370
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name2-(3-bromophenoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
SMILESCc1cc(C)c(C(N)=NO)c(Oc2cccc(Br)c2)n1
InChIInChI=1S/C14H14BrN3O2/c1-8-6-9(2)17-14(12(8)13(16)18-19)20-11-5-3-4-10(15)7-11/h3-7,19H,1-2H3,(H2,16,18)
InChIKeyLQCPTRXFNDQKCN-UHFFFAOYSA-N
XLogP3.35
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.35
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

N'-hydroxy-4,6-dimethyl-2-(3-methylphenoxy)pyridine-3-carboximidamide
CID 61176184
N'-hydroxy-2-(3-methoxyphenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175614
2-(4-bromo-3-fluorophenoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 77059488
4-(3-bromophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 81054592
N'-hydroxy-4,6-dimethyl-2-(4-methylsulfanylphenoxy)pyridine-3-carboximidamide
CID 77003380
N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 61228172
2-(3-bromophenoxy)-3-chloro-N'-hydroxypyridine-4-carboximidamide
CID 136739624
2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 116801421
N'-hydroxy-4,6-dimethyl-2-phenylmethoxypyridine-3-carboximidamide
CID 61177131
2-(4-bromo-3-methylphenoxy)-4,6-dimethylpyridine-3-carboxamide
CID 81332753
2-(4-bromo-2-methylphenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 63217042
N'-hydroxy-2-(1-methoxypropan-2-yloxy)-4,6-dimethylpyridine-3-carboximidamide
CID 77015874

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 2-(3-bromophenoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide (CID 61176370) is 2-(3-bromophenoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 2-(3-bromophenoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide is Cc1cc(C)c(C(N)=NO)c(Oc2cccc(Br)c2)n1.
What is the InChIKey of 2-(3-bromophenoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
The InChIKey is LQCPTRXFNDQKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-8-6-9(2)17-14(12(8)13(16)18-19)20-11-5-3-4-10(15)7-11/h3-7,19H,1-2H3,(H2,16,18).
What are the key properties of 2-(3-bromophenoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide?
2-(3-bromophenoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide has a molecular weight of 336.19 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 61176370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).