2-(2-bromo-6-nitrophenoxy)pyrimidine-4-carboximidamide

C11H8BrN5O3 — CID 107551192

IUPAC2-(2-bromo-6-nitrophenoxy)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Oc2c(Br)cccc2[N+](=O)[O-])n1
InChIInChI=1S/C11H8BrN5O3/c12-6-2-1-3-8(17(18)19)9(6)20-11-15-5-4-7(16-11)10(13)14/h1-5H,(H3,13,14)
InChIKeyYUFNRMOVWYVZGN-UHFFFAOYSA-N
MW338.12 g/mol
LogP2.22
Rot. Bonds4

About 2-(2-bromo-6-nitrophenoxy)pyrimidine-4-carboximidamide

2-(2-bromo-6-nitrophenoxy)pyrimidine-4-carboximidamide (PubChem CID 107551192) has the molecular formula C11H8BrN5O3 and a molecular weight of 338.12 g/mol. Its IUPAC name is 2-(2-bromo-6-nitrophenoxy)pyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(2-bromo-6-nitrophenoxy)pyrimidine-4-carboximidamide
PubChem CID107551192
Molecular FormulaC11H8BrN5O3
Molecular Weight338.12 g/mol
Exact Mass336.98
IUPAC Name2-(2-bromo-6-nitrophenoxy)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Oc2c(Br)cccc2[N+](=O)[O-])n1
InChIInChI=1S/C11H8BrN5O3/c12-6-2-1-3-8(17(18)19)9(6)20-11-15-5-4-7(16-11)10(13)14/h1-5H,(H3,13,14)
InChIKeyYUFNRMOVWYVZGN-UHFFFAOYSA-N
XLogP2.22
TPSA128.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.12
LogP ≤ 52.22
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-(2,5-difluoro-4-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551129
2-(3-methyl-2-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551063
2-(4-methoxy-2-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551054
2-(2-bromo-6-nitrophenoxy)-6-chlorobenzenecarboximidamide
CID 81495765
2-(2-fluoro-6-nitrophenoxy)-N'-hydroxypyrimidine-4-carboximidamide
CID 136907441
2-(2-bromo-6-nitrophenoxy)-5-fluorobenzenecarboximidamide
CID 81495763
2-(2-methyl-4-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551225
[4-(2-bromo-6-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 81499626
2-(6-bromonaphthalen-2-yl)oxypyrimidine-4-carboximidamide
CID 107550845
2-(3-ethoxyphenoxy)pyrimidine-4-carboximidamide
CID 107551111
3-chloro-2-(2-fluoro-6-nitrophenoxy)pyridine-4-carboximidamide
CID 107060656

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-nitrophenoxy)pyrimidine-4-carboximidamide?
The IUPAC name of 2-(2-bromo-6-nitrophenoxy)pyrimidine-4-carboximidamide (CID 107551192) is 2-(2-bromo-6-nitrophenoxy)pyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(2-bromo-6-nitrophenoxy)pyrimidine-4-carboximidamide?
The canonical SMILES for 2-(2-bromo-6-nitrophenoxy)pyrimidine-4-carboximidamide is [H]/N=C(\N)c1ccnc(Oc2c(Br)cccc2[N+](=O)[O-])n1.
What is the InChIKey of 2-(2-bromo-6-nitrophenoxy)pyrimidine-4-carboximidamide?
The InChIKey is YUFNRMOVWYVZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN5O3/c12-6-2-1-3-8(17(18)19)9(6)20-11-15-5-4-7(16-11)10(13)14/h1-5H,(H3,13,14).
What are the key properties of 2-(2-bromo-6-nitrophenoxy)pyrimidine-4-carboximidamide?
2-(2-bromo-6-nitrophenoxy)pyrimidine-4-carboximidamide has a molecular weight of 338.12 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-nitrophenoxy)pyrimidine-4-carboximidamide is sourced from PubChem (CID 107551192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).