2-(2-bromo-4-chlorophenoxy)-4,6-dimethylpyridine-3-carboximidamide

C14H13BrClN3O — CID 61176543

IUPAC2-(2-bromo-4-chlorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1Oc1ccc(Cl)cc1Br
InChIInChI=1S/C14H13BrClN3O/c1-7-5-8(2)19-14(12(7)13(17)18)20-11-4-3-9(16)6-10(11)15/h3-6H,1-2H3,(H3,17,18)
InChIKeyQDRZNHWQXHMXSY-UHFFFAOYSA-N
MW354.64 g/mol
LogP4.19
Rot. Bonds3

About 2-(2-bromo-4-chlorophenoxy)-4,6-dimethylpyridine-3-carboximidamide

2-(2-bromo-4-chlorophenoxy)-4,6-dimethylpyridine-3-carboximidamide (PubChem CID 61176543) has the molecular formula C14H13BrClN3O and a molecular weight of 354.64 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-4,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
PubChem CID61176543
Molecular FormulaC14H13BrClN3O
Molecular Weight354.64 g/mol
Exact Mass352.99
IUPAC Name2-(2-bromo-4-chlorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1Oc1ccc(Cl)cc1Br
InChIInChI=1S/C14H13BrClN3O/c1-7-5-8(2)19-14(12(7)13(17)18)20-11-4-3-9(16)6-10(11)15/h3-6H,1-2H3,(H3,17,18)
InChIKeyQDRZNHWQXHMXSY-UHFFFAOYSA-N
XLogP4.19
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.64
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dichlorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175597
2-(4-chloro-2,6-dimethylphenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175403
2-(2,4-difluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175206
2-(2,5-difluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 63269866
5-(2-bromo-4-chlorophenoxy)-1,3-dimethylpyrazole-4-carboximidamide
CID 63750877
[2-(2-bromo-4-chlorophenoxy)-4,6-dimethyl-3-pyridinyl]methanol
CID 61256518
2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 61229142
2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 81332133
2-[(2-bromophenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 82824229
4-(2-bromo-4-chlorophenoxy)pyridine-2-carboximidamide
CID 55157438
3-bromo-4-(4-chloro-2,6-dimethylphenoxy)benzenecarboximidamide
CID 82800181
2-(2,4-dichlorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678494

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-4,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-4,6-dimethylpyridine-3-carboximidamide (CID 61176543) is 2-(2-bromo-4-chlorophenoxy)-4,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-4,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-4,6-dimethylpyridine-3-carboximidamide is [H]/N=C(\N)c1c(C)cc(C)nc1Oc1ccc(Cl)cc1Br.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-4,6-dimethylpyridine-3-carboximidamide?
The InChIKey is QDRZNHWQXHMXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN3O/c1-7-5-8(2)19-14(12(7)13(17)18)20-11-4-3-9(16)6-10(11)15/h3-6H,1-2H3,(H3,17,18).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-4,6-dimethylpyridine-3-carboximidamide?
2-(2-bromo-4-chlorophenoxy)-4,6-dimethylpyridine-3-carboximidamide has a molecular weight of 354.64 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-4,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 61176543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).