3-chloro-2-(2-methyl-3-nitrophenoxy)pyridine-4-carboximidamide

C13H11ClN4O3 — CID 107060571

IUPAC3-chloro-2-(2-methyl-3-nitrophenoxy)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Oc2cccc([N+](=O)[O-])c2C)c1Cl
InChIInChI=1S/C13H11ClN4O3/c1-7-9(18(19)20)3-2-4-10(7)21-13-11(14)8(12(15)16)5-6-17-13/h2-6H,1H3,(H3,15,16)
InChIKeyGCLISTAFOPWCJX-UHFFFAOYSA-N
MW306.71 g/mol
LogP3.03
Rot. Bonds4

About 3-chloro-2-(2-methyl-3-nitrophenoxy)pyridine-4-carboximidamide

3-chloro-2-(2-methyl-3-nitrophenoxy)pyridine-4-carboximidamide (PubChem CID 107060571) has the molecular formula C13H11ClN4O3 and a molecular weight of 306.71 g/mol. Its IUPAC name is 3-chloro-2-(2-methyl-3-nitrophenoxy)pyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-2-(2-methyl-3-nitrophenoxy)pyridine-4-carboximidamide
PubChem CID107060571
Molecular FormulaC13H11ClN4O3
Molecular Weight306.71 g/mol
Exact Mass306.05
IUPAC Name3-chloro-2-(2-methyl-3-nitrophenoxy)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Oc2cccc([N+](=O)[O-])c2C)c1Cl
InChIInChI=1S/C13H11ClN4O3/c1-7-9(18(19)20)3-2-4-10(7)21-13-11(14)8(12(15)16)5-6-17-13/h2-6H,1H3,(H3,15,16)
InChIKeyGCLISTAFOPWCJX-UHFFFAOYSA-N
XLogP3.03
TPSA115.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 53.03
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

3-(2-methyl-3-nitrophenoxy)pyridazine-4-carboximidamide
CID 80514173
3-chloro-2-(2-fluoro-6-nitrophenoxy)pyridine-4-carboximidamide
CID 107060656
2-(2-nitrophenoxy)pyridine-3-carboximidamide
CID 54915747
6-(2-methyl-3-nitrophenoxy)pyridine-3-carboximidamide
CID 61032434
2-(2-nitrophenoxy)pyridine-3-carboximidamide;hydrochloride
CID 82240737
3-chloro-2-[2-(hydroxymethyl)phenoxy]pyridine-4-carboximidamide
CID 107060606
3-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboximidamide
CID 62893728
3-chloro-2-(3-fluorophenoxy)pyridine-4-carboximidamide
CID 107060457
2-(2-chloro-6-nitrophenoxy)-4-methylbenzenecarboximidamide
CID 107717026
2-(2,5-difluoro-4-nitrophenoxy)pyridine-3-carboximidamide
CID 63599016
2-(2-chloro-6-nitrophenoxy)-3-methylbenzenecarboximidamide
CID 107717023
3-chloro-2-(4-fluoro-3-methylphenoxy)pyridine-4-carboximidamide
CID 107060638

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-methyl-3-nitrophenoxy)pyridine-4-carboximidamide?
The IUPAC name of 3-chloro-2-(2-methyl-3-nitrophenoxy)pyridine-4-carboximidamide (CID 107060571) is 3-chloro-2-(2-methyl-3-nitrophenoxy)pyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-2-(2-methyl-3-nitrophenoxy)pyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-2-(2-methyl-3-nitrophenoxy)pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(Oc2cccc([N+](=O)[O-])c2C)c1Cl.
What is the InChIKey of 3-chloro-2-(2-methyl-3-nitrophenoxy)pyridine-4-carboximidamide?
The InChIKey is GCLISTAFOPWCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O3/c1-7-9(18(19)20)3-2-4-10(7)21-13-11(14)8(12(15)16)5-6-17-13/h2-6H,1H3,(H3,15,16).
What are the key properties of 3-chloro-2-(2-methyl-3-nitrophenoxy)pyridine-4-carboximidamide?
3-chloro-2-(2-methyl-3-nitrophenoxy)pyridine-4-carboximidamide has a molecular weight of 306.71 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-methyl-3-nitrophenoxy)pyridine-4-carboximidamide is sourced from PubChem (CID 107060571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).