2-(2,4-difluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide

C14H13F2N3O — CID 61175206

IUPAC2-(2,4-difluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1Oc1ccc(F)cc1F
InChIInChI=1S/C14H13F2N3O/c1-7-5-8(2)19-14(12(7)13(17)18)20-11-4-3-9(15)6-10(11)16/h3-6H,1-2H3,(H3,17,18)
InChIKeyGXBHWOAFYVJOAK-UHFFFAOYSA-N
MW277.27 g/mol
LogP3.05
Rot. Bonds3

About 2-(2,4-difluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide

2-(2,4-difluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide (PubChem CID 61175206) has the molecular formula C14H13F2N3O and a molecular weight of 277.27 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
PubChem CID61175206
Molecular FormulaC14H13F2N3O
Molecular Weight277.27 g/mol
Exact Mass277.10
IUPAC Name2-(2,4-difluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1Oc1ccc(F)cc1F
InChIInChI=1S/C14H13F2N3O/c1-7-5-8(2)19-14(12(7)13(17)18)20-11-4-3-9(15)6-10(11)16/h3-6H,1-2H3,(H3,17,18)
InChIKeyGXBHWOAFYVJOAK-UHFFFAOYSA-N
XLogP3.05
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 53.05
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-difluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 63269866
2-(2-bromo-4-chlorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61176543
2-(2,5-dichlorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175597
2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 81332133
2-(4-chloro-2,6-dimethylphenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175403
2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 61229142
4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide
CID 102982075
2-(2,5-difluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 63268704
4,6-dimethyl-2-(2-methylpropoxy)pyridine-3-carboximidamide
CID 61177313
3-(2,5-difluorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide
CID 63269865
4,6-dimethyl-2-(2-phenoxyethoxy)pyridine-3-carboximidamide
CID 61175204
2-(2-ethoxyethoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61177118

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide (CID 61175206) is 2-(2,4-difluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide is [H]/N=C(\N)c1c(C)cc(C)nc1Oc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide?
The InChIKey is GXBHWOAFYVJOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O/c1-7-5-8(2)19-14(12(7)13(17)18)20-11-4-3-9(15)6-10(11)16/h3-6H,1-2H3,(H3,17,18).
What are the key properties of 2-(2,4-difluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide?
2-(2,4-difluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide has a molecular weight of 277.27 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 61175206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).