2-methyl-6-(2-methyl-6-nitrophenoxy)pyridine-4-carboximidamide

C14H14N4O3 — CID 114769381

IUPAC2-methyl-6-(2-methyl-6-nitrophenoxy)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(Oc2c(C)cccc2[N+](=O)[O-])c1
InChIInChI=1S/C14H14N4O3/c1-8-4-3-5-11(18(19)20)13(8)21-12-7-10(14(15)16)6-9(2)17-12/h3-7H,1-2H3,(H3,15,16)
InChIKeyDVXBSIRGQPUSGG-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.68
Rot. Bonds4

About 2-methyl-6-(2-methyl-6-nitrophenoxy)pyridine-4-carboximidamide

2-methyl-6-(2-methyl-6-nitrophenoxy)pyridine-4-carboximidamide (PubChem CID 114769381) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-methyl-6-(2-methyl-6-nitrophenoxy)pyridine-4-carboximidamide.

Molecular Properties

Compound Name2-methyl-6-(2-methyl-6-nitrophenoxy)pyridine-4-carboximidamide
PubChem CID114769381
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name2-methyl-6-(2-methyl-6-nitrophenoxy)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(Oc2c(C)cccc2[N+](=O)[O-])c1
InChIInChI=1S/C14H14N4O3/c1-8-4-3-5-11(18(19)20)13(8)21-12-7-10(14(15)16)6-9(2)17-12/h3-7H,1-2H3,(H3,15,16)
InChIKeyDVXBSIRGQPUSGG-UHFFFAOYSA-N
XLogP2.68
TPSA115.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-3-nitrophenoxy)-6-methylpyridine-4-carboximidamide
CID 114769397
2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-4-carboximidamide
CID 114769235
2-(2-chloro-6-nitrophenoxy)-3-methylbenzenecarboximidamide
CID 107717023
2-(2,6-dimethylphenoxy)pyridine-4-carboximidamide
CID 24710757
6-(2-methyl-3-nitrophenoxy)pyridine-3-carboximidamide
CID 61032434
2-(2-ethoxyphenoxy)-6-methylpyridine-4-carboximidamide
CID 114769243
2-[3-(methoxymethyl)phenoxy]-6-methylpyridine-4-carboximidamide
CID 114769347
2-(3,5-difluorophenoxy)-6-methylpyridine-4-carboximidamide
CID 114769335
3-chloro-4-(2-chloro-6-nitrophenoxy)benzenecarboximidamide
CID 107716974
2-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyridine-4-carboximidamide
CID 114769248
2-methyl-6-phenylmethoxypyridine-4-carboximidamide
CID 114769208
2-chloro-4-(2-chloro-6-nitrophenoxy)-6-methylpyrimidine
CID 107716661

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methyl-6-nitrophenoxy)pyridine-4-carboximidamide?
The IUPAC name of 2-methyl-6-(2-methyl-6-nitrophenoxy)pyridine-4-carboximidamide (CID 114769381) is 2-methyl-6-(2-methyl-6-nitrophenoxy)pyridine-4-carboximidamide.
What is the SMILES notation for 2-methyl-6-(2-methyl-6-nitrophenoxy)pyridine-4-carboximidamide?
The canonical SMILES for 2-methyl-6-(2-methyl-6-nitrophenoxy)pyridine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(Oc2c(C)cccc2[N+](=O)[O-])c1.
What is the InChIKey of 2-methyl-6-(2-methyl-6-nitrophenoxy)pyridine-4-carboximidamide?
The InChIKey is DVXBSIRGQPUSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-8-4-3-5-11(18(19)20)13(8)21-12-7-10(14(15)16)6-9(2)17-12/h3-7H,1-2H3,(H3,15,16).
What are the key properties of 2-methyl-6-(2-methyl-6-nitrophenoxy)pyridine-4-carboximidamide?
2-methyl-6-(2-methyl-6-nitrophenoxy)pyridine-4-carboximidamide has a molecular weight of 286.29 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methyl-6-nitrophenoxy)pyridine-4-carboximidamide is sourced from PubChem (CID 114769381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).