2-(3,5-difluorophenoxy)-6-methylpyridine-4-carboximidamide

C13H11F2N3O — CID 114769335

IUPAC2-(3,5-difluorophenoxy)-6-methylpyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(Oc2cc(F)cc(F)c2)c1
InChIInChI=1S/C13H11F2N3O/c1-7-2-8(13(16)17)3-12(18-7)19-11-5-9(14)4-10(15)6-11/h2-6H,1H3,(H3,16,17)
InChIKeyUYTIEKMRXMNNLI-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.74
Rot. Bonds3

About 2-(3,5-difluorophenoxy)-6-methylpyridine-4-carboximidamide

2-(3,5-difluorophenoxy)-6-methylpyridine-4-carboximidamide (PubChem CID 114769335) has the molecular formula C13H11F2N3O and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-(3,5-difluorophenoxy)-6-methylpyridine-4-carboximidamide.

Molecular Properties

Compound Name2-(3,5-difluorophenoxy)-6-methylpyridine-4-carboximidamide
PubChem CID114769335
Molecular FormulaC13H11F2N3O
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name2-(3,5-difluorophenoxy)-6-methylpyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(Oc2cc(F)cc(F)c2)c1
InChIInChI=1S/C13H11F2N3O/c1-7-2-8(13(16)17)3-12(18-7)19-11-5-9(14)4-10(15)6-11/h2-6H,1H3,(H3,16,17)
InChIKeyUYTIEKMRXMNNLI-UHFFFAOYSA-N
XLogP2.74
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 52.74
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-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyridine-4-carboximidamide
CID 114769248
2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-4-carboximidamide
CID 114769235
2-[3-(methoxymethyl)phenoxy]-6-methylpyridine-4-carboximidamide
CID 114769347
2-(4-fluoro-N-methylanilino)-6-methylpyridine-4-carboximidamide
CID 114768994
2-(2-ethoxyphenoxy)-6-methylpyridine-4-carboximidamide
CID 114769243
2-methyl-6-pentoxypyridine-4-carboximidamide
CID 114769287
2-(4-bromo-2-propan-2-ylphenoxy)-6-methylpyridine-4-carboximidamide
CID 114769377
2-methyl-6-phenylmethoxypyridine-4-carboximidamide
CID 114769208
2-[2-(dimethylamino)-2-methylpropoxy]-6-methylpyridine-4-carboximidamide
CID 114769367
2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 81332133
2-methyl-6-(2-methyl-6-nitrophenoxy)pyridine-4-carboximidamide
CID 114769381
2-methyl-6-(thiophen-2-ylmethoxy)pyridine-4-carboximidamide
CID 114769321

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenoxy)-6-methylpyridine-4-carboximidamide?
The IUPAC name of 2-(3,5-difluorophenoxy)-6-methylpyridine-4-carboximidamide (CID 114769335) is 2-(3,5-difluorophenoxy)-6-methylpyridine-4-carboximidamide.
What is the SMILES notation for 2-(3,5-difluorophenoxy)-6-methylpyridine-4-carboximidamide?
The canonical SMILES for 2-(3,5-difluorophenoxy)-6-methylpyridine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(Oc2cc(F)cc(F)c2)c1.
What is the InChIKey of 2-(3,5-difluorophenoxy)-6-methylpyridine-4-carboximidamide?
The InChIKey is UYTIEKMRXMNNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O/c1-7-2-8(13(16)17)3-12(18-7)19-11-5-9(14)4-10(15)6-11/h2-6H,1H3,(H3,16,17).
What are the key properties of 2-(3,5-difluorophenoxy)-6-methylpyridine-4-carboximidamide?
2-(3,5-difluorophenoxy)-6-methylpyridine-4-carboximidamide has a molecular weight of 263.25 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenoxy)-6-methylpyridine-4-carboximidamide is sourced from PubChem (CID 114769335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).