2-(2,5-difluoro-4-nitrophenoxy)pyrimidine-4-carboximidamide

C11H7F2N5O3 — CID 107551129

IUPAC2-(2,5-difluoro-4-nitrophenoxy)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Oc2cc(F)c([N+](=O)[O-])cc2F)n1
InChIInChI=1S/C11H7F2N5O3/c12-5-4-9(6(13)3-8(5)18(19)20)21-11-16-2-1-7(17-11)10(14)15/h1-4H,(H3,14,15)
InChIKeyWXJMXIKKYAEKDO-UHFFFAOYSA-N
MW295.21 g/mol
LogP1.74
Rot. Bonds4

About 2-(2,5-difluoro-4-nitrophenoxy)pyrimidine-4-carboximidamide

2-(2,5-difluoro-4-nitrophenoxy)pyrimidine-4-carboximidamide (PubChem CID 107551129) has the molecular formula C11H7F2N5O3 and a molecular weight of 295.21 g/mol. Its IUPAC name is 2-(2,5-difluoro-4-nitrophenoxy)pyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(2,5-difluoro-4-nitrophenoxy)pyrimidine-4-carboximidamide
PubChem CID107551129
Molecular FormulaC11H7F2N5O3
Molecular Weight295.21 g/mol
Exact Mass295.05
IUPAC Name2-(2,5-difluoro-4-nitrophenoxy)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Oc2cc(F)c([N+](=O)[O-])cc2F)n1
InChIInChI=1S/C11H7F2N5O3/c12-5-4-9(6(13)3-8(5)18(19)20)21-11-16-2-1-7(17-11)10(14)15/h1-4H,(H3,14,15)
InChIKeyWXJMXIKKYAEKDO-UHFFFAOYSA-N
XLogP1.74
TPSA128.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(4,5-dichloro-2-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551290
2-(4-methoxy-2-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551054
2-(2,5-difluoro-4-nitrophenoxy)pyridine-3-carboximidamide
CID 63599016
2-(2-methyl-4-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551225
2-(2-bromo-6-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551192
2-(3-methyl-2-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551063
2-(2,5-difluoro-4-nitrophenoxy)pyrimidine-4-carbonitrile
CID 107545938
3-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine-2-carboximidamide
CID 114416866
6-(5-fluoro-2-nitrophenoxy)pyridine-2-carboximidamide
CID 64593831
2-(2-tert-butylphenoxy)pyrimidine-4-carboximidamide
CID 107550918
5-chloro-2-(2,5-difluoro-4-nitrophenoxy)pyridine
CID 66234348
2-(6-bromonaphthalen-2-yl)oxypyrimidine-4-carboximidamide
CID 107550845

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluoro-4-nitrophenoxy)pyrimidine-4-carboximidamide?
The IUPAC name of 2-(2,5-difluoro-4-nitrophenoxy)pyrimidine-4-carboximidamide (CID 107551129) is 2-(2,5-difluoro-4-nitrophenoxy)pyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(2,5-difluoro-4-nitrophenoxy)pyrimidine-4-carboximidamide?
The canonical SMILES for 2-(2,5-difluoro-4-nitrophenoxy)pyrimidine-4-carboximidamide is [H]/N=C(\N)c1ccnc(Oc2cc(F)c([N+](=O)[O-])cc2F)n1.
What is the InChIKey of 2-(2,5-difluoro-4-nitrophenoxy)pyrimidine-4-carboximidamide?
The InChIKey is WXJMXIKKYAEKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N5O3/c12-5-4-9(6(13)3-8(5)18(19)20)21-11-16-2-1-7(17-11)10(14)15/h1-4H,(H3,14,15).
What are the key properties of 2-(2,5-difluoro-4-nitrophenoxy)pyrimidine-4-carboximidamide?
2-(2,5-difluoro-4-nitrophenoxy)pyrimidine-4-carboximidamide has a molecular weight of 295.21 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluoro-4-nitrophenoxy)pyrimidine-4-carboximidamide is sourced from PubChem (CID 107551129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).