6-(2-methyl-3-nitrophenoxy)pyridine-3-carboximidamide

C13H12N4O3 — CID 61032434

IUPAC6-(2-methyl-3-nitrophenoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cccc([N+](=O)[O-])c2C)nc1
InChIInChI=1S/C13H12N4O3/c1-8-10(17(18)19)3-2-4-11(8)20-12-6-5-9(7-16-12)13(14)15/h2-7H,1H3,(H3,14,15)
InChIKeyOCIIZYUGCBCQMO-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.37
Rot. Bonds4

About 6-(2-methyl-3-nitrophenoxy)pyridine-3-carboximidamide

6-(2-methyl-3-nitrophenoxy)pyridine-3-carboximidamide (PubChem CID 61032434) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is 6-(2-methyl-3-nitrophenoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(2-methyl-3-nitrophenoxy)pyridine-3-carboximidamide
PubChem CID61032434
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name6-(2-methyl-3-nitrophenoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cccc([N+](=O)[O-])c2C)nc1
InChIInChI=1S/C13H12N4O3/c1-8-10(17(18)19)3-2-4-11(8)20-12-6-5-9(7-16-12)13(14)15/h2-7H,1H3,(H3,14,15)
InChIKeyOCIIZYUGCBCQMO-UHFFFAOYSA-N
XLogP2.37
TPSA115.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.37
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

6-(2-nitrophenoxy)pyridine-3-carboximidamide
CID 54915069
6-(3-methyl-2-nitrophenoxy)pyridine-3-carboximidamide
CID 61037976
6-(4-methoxy-2-nitrophenoxy)pyridine-3-carboximidamide
CID 61031687
3-(2-methyl-3-nitrophenoxy)pyridazine-4-carboximidamide
CID 80514173
3-chloro-2-(2-methyl-3-nitrophenoxy)pyridine-4-carboximidamide
CID 107060571
5-(2-methyl-3-nitrophenoxy)pyrazin-2-amine
CID 80663589
2-(2-bromo-3-nitrophenoxy)-6-methylpyridine-4-carboximidamide
CID 114769397
3-chloro-6-(2-methyl-3-nitrophenoxy)pyridazine
CID 54915539
3-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboximidamide
CID 62893728
6-(3-methylphenoxy)pyridine-3-carboximidamide
CID 24705712
2-(2-nitrophenoxy)pyridine-3-carboximidamide
CID 54915747
5-methyl-6-(2-methyl-3-nitrophenoxy)pyridine-3-carboxylic acid
CID 80632599

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-3-nitrophenoxy)pyridine-3-carboximidamide?
The IUPAC name of 6-(2-methyl-3-nitrophenoxy)pyridine-3-carboximidamide (CID 61032434) is 6-(2-methyl-3-nitrophenoxy)pyridine-3-carboximidamide.
What is the SMILES notation for 6-(2-methyl-3-nitrophenoxy)pyridine-3-carboximidamide?
The canonical SMILES for 6-(2-methyl-3-nitrophenoxy)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(Oc2cccc([N+](=O)[O-])c2C)nc1.
What is the InChIKey of 6-(2-methyl-3-nitrophenoxy)pyridine-3-carboximidamide?
The InChIKey is OCIIZYUGCBCQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-8-10(17(18)19)3-2-4-11(8)20-12-6-5-9(7-16-12)13(14)15/h2-7H,1H3,(H3,14,15).
What are the key properties of 6-(2-methyl-3-nitrophenoxy)pyridine-3-carboximidamide?
6-(2-methyl-3-nitrophenoxy)pyridine-3-carboximidamide has a molecular weight of 272.26 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-3-nitrophenoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 61032434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).