2-(2,5-difluoro-4-nitrophenoxy)pyridine-3-carboximidamide

C12H8F2N4O3 — CID 63599016

IUPAC2-(2,5-difluoro-4-nitrophenoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1Oc1cc(F)c([N+](=O)[O-])cc1F
InChIInChI=1S/C12H8F2N4O3/c13-7-5-10(8(14)4-9(7)18(19)20)21-12-6(11(15)16)2-1-3-17-12/h1-5H,(H3,15,16)
InChIKeyDQYKDMZVGUWCJM-UHFFFAOYSA-N
MW294.22 g/mol
LogP2.34
Rot. Bonds4

About 2-(2,5-difluoro-4-nitrophenoxy)pyridine-3-carboximidamide

2-(2,5-difluoro-4-nitrophenoxy)pyridine-3-carboximidamide (PubChem CID 63599016) has the molecular formula C12H8F2N4O3 and a molecular weight of 294.22 g/mol. Its IUPAC name is 2-(2,5-difluoro-4-nitrophenoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(2,5-difluoro-4-nitrophenoxy)pyridine-3-carboximidamide
PubChem CID63599016
Molecular FormulaC12H8F2N4O3
Molecular Weight294.22 g/mol
Exact Mass294.06
IUPAC Name2-(2,5-difluoro-4-nitrophenoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1Oc1cc(F)c([N+](=O)[O-])cc1F
InChIInChI=1S/C12H8F2N4O3/c13-7-5-10(8(14)4-9(7)18(19)20)21-12-6(11(15)16)2-1-3-17-12/h1-5H,(H3,15,16)
InChIKeyDQYKDMZVGUWCJM-UHFFFAOYSA-N
XLogP2.34
TPSA115.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.22
LogP ≤ 52.34
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-nitrophenoxy)pyridine-3-carboximidamide
CID 54915747
2-(2-nitrophenoxy)pyridine-3-carboximidamide;hydrochloride
CID 82240737
2-(2,5-difluoro-4-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551129
3-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine-2-carboximidamide
CID 114416866
2-(2-methylphenoxy)pyridine-3-carboximidamide
CID 24707903
2-(4-chloro-3-fluorophenoxy)pyridine-3-carboximidamide
CID 82716806
3-chloro-2-(2-fluoro-6-nitrophenoxy)pyridine-4-carboximidamide
CID 107060656
2-(2-phenylphenoxy)pyridine-3-carboximidamide
CID 24699943
3-(2-methyl-3-nitrophenoxy)pyridazine-4-carboximidamide
CID 80514173
3-chloro-2-(2-methyl-3-nitrophenoxy)pyridine-4-carboximidamide
CID 107060571
2-chloro-3-[(2,5-difluoro-4-nitrophenoxy)methyl]pyridine
CID 63597772
2-[(2,5-difluoro-4-nitrophenoxy)methyl]-3,3,3-trifluoropropanimidamide
CID 103371050

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluoro-4-nitrophenoxy)pyridine-3-carboximidamide?
The IUPAC name of 2-(2,5-difluoro-4-nitrophenoxy)pyridine-3-carboximidamide (CID 63599016) is 2-(2,5-difluoro-4-nitrophenoxy)pyridine-3-carboximidamide.
What is the SMILES notation for 2-(2,5-difluoro-4-nitrophenoxy)pyridine-3-carboximidamide?
The canonical SMILES for 2-(2,5-difluoro-4-nitrophenoxy)pyridine-3-carboximidamide is [H]/N=C(\N)c1cccnc1Oc1cc(F)c([N+](=O)[O-])cc1F.
What is the InChIKey of 2-(2,5-difluoro-4-nitrophenoxy)pyridine-3-carboximidamide?
The InChIKey is DQYKDMZVGUWCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N4O3/c13-7-5-10(8(14)4-9(7)18(19)20)21-12-6(11(15)16)2-1-3-17-12/h1-5H,(H3,15,16).
What are the key properties of 2-(2,5-difluoro-4-nitrophenoxy)pyridine-3-carboximidamide?
2-(2,5-difluoro-4-nitrophenoxy)pyridine-3-carboximidamide has a molecular weight of 294.22 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluoro-4-nitrophenoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 63599016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).