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

C11H7Cl2N5O3 — CID 107551290

IUPAC2-(4,5-dichloro-2-nitrophenoxy)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])n1
InChIInChI=1S/C11H7Cl2N5O3/c12-5-3-8(18(19)20)9(4-6(5)13)21-11-16-2-1-7(17-11)10(14)15/h1-4H,(H3,14,15)
InChIKeyREWRXMGKYNOGMK-UHFFFAOYSA-N
MW328.12 g/mol
LogP2.77
Rot. Bonds4

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

2-(4,5-dichloro-2-nitrophenoxy)pyrimidine-4-carboximidamide (PubChem CID 107551290) has the molecular formula C11H7Cl2N5O3 and a molecular weight of 328.12 g/mol. Its IUPAC name is 2-(4,5-dichloro-2-nitrophenoxy)pyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(4,5-dichloro-2-nitrophenoxy)pyrimidine-4-carboximidamide
PubChem CID107551290
Molecular FormulaC11H7Cl2N5O3
Molecular Weight328.12 g/mol
Exact Mass326.99
IUPAC Name2-(4,5-dichloro-2-nitrophenoxy)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])n1
InChIInChI=1S/C11H7Cl2N5O3/c12-5-3-8(18(19)20)9(4-6(5)13)21-11-16-2-1-7(17-11)10(14)15/h1-4H,(H3,14,15)
InChIKeyREWRXMGKYNOGMK-UHFFFAOYSA-N
XLogP2.77
TPSA128.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.12
LogP ≤ 52.77
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-methoxy-2-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551054
2-(2,5-difluoro-4-nitrophenoxy)pyrimidine-4-carboximidamide
CID 107551129
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
4-(4,5-dichloro-2-nitrophenoxy)benzenecarboximidamide
CID 107500011
2-(4-chloro-3-ethylphenoxy)pyrimidine-4-carboximidamide
CID 107551013
2-(2,4,5-trichlorophenoxy)pyrimidine-4-carbothioamide
CID 107548379
2,4-dichloro-6-(4,5-dichloro-2-nitrophenoxy)-1,3,5-triazine
CID 107499610
2-(2-tert-butylphenoxy)pyrimidine-4-carboximidamide
CID 107550918
5-(5-methoxy-2-nitrophenoxy)pyridine-2-carboximidamide
CID 102702745
6-(5-fluoro-2-nitrophenoxy)pyridine-2-carboximidamide
CID 64593831

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-2-nitrophenoxy)pyrimidine-4-carboximidamide?
The IUPAC name of 2-(4,5-dichloro-2-nitrophenoxy)pyrimidine-4-carboximidamide (CID 107551290) is 2-(4,5-dichloro-2-nitrophenoxy)pyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(4,5-dichloro-2-nitrophenoxy)pyrimidine-4-carboximidamide?
The canonical SMILES for 2-(4,5-dichloro-2-nitrophenoxy)pyrimidine-4-carboximidamide is [H]/N=C(\N)c1ccnc(Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])n1.
What is the InChIKey of 2-(4,5-dichloro-2-nitrophenoxy)pyrimidine-4-carboximidamide?
The InChIKey is REWRXMGKYNOGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N5O3/c12-5-3-8(18(19)20)9(4-6(5)13)21-11-16-2-1-7(17-11)10(14)15/h1-4H,(H3,14,15).
What are the key properties of 2-(4,5-dichloro-2-nitrophenoxy)pyrimidine-4-carboximidamide?
2-(4,5-dichloro-2-nitrophenoxy)pyrimidine-4-carboximidamide has a molecular weight of 328.12 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-2-nitrophenoxy)pyrimidine-4-carboximidamide is sourced from PubChem (CID 107551290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).