2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide

C14H13BrFN3O — CID 81332133

IUPAC2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C14H13BrFN3O/c1-7-3-8(2)19-14(12(7)13(17)18)20-11-5-9(15)4-10(16)6-11/h3-6H,1-2H3,(H3,17,18)
InChIKeySYHXLWHDDBAUIC-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.68
Rot. Bonds3

About 2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide

2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide (PubChem CID 81332133) has the molecular formula C14H13BrFN3O and a molecular weight of 338.18 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
PubChem CID81332133
Molecular FormulaC14H13BrFN3O
Molecular Weight338.18 g/mol
Exact Mass337.02
IUPAC Name2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C14H13BrFN3O/c1-7-3-8(2)19-14(12(7)13(17)18)20-11-5-9(15)4-10(16)6-11/h3-6H,1-2H3,(H3,17,18)
InChIKeySYHXLWHDDBAUIC-UHFFFAOYSA-N
XLogP3.68
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.68
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-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 81331677
2-(2,5-difluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 63269866
2-(2,4-difluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175206
2-(3,5-difluorophenoxy)-4,6-dimethylpyridine-3-carbothioamide
CID 62786363
2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 61229142
2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 81331685
2-(2-bromo-4-chlorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61176543
2-(4-chloro-2,6-dimethylphenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175403
1-[2-(3-bromo-5-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
CID 81326308
2-(2,5-dichlorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175597
2-(3-bromo-5-fluorophenoxy)-4-methylbenzenecarboximidamide
CID 81332379
4-bromo-2,6-dimethylbenzenecarboximidamide
CID 146550269

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide (CID 81332133) is 2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide is [H]/N=C(\N)c1c(C)cc(C)nc1Oc1cc(F)cc(Br)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide?
The InChIKey is SYHXLWHDDBAUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN3O/c1-7-3-8(2)19-14(12(7)13(17)18)20-11-5-9(15)4-10(16)6-11/h3-6H,1-2H3,(H3,17,18).
What are the key properties of 2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide?
2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide has a molecular weight of 338.18 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 81332133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).