2-(3-chlorophenoxy)-5-nitropyrimidine

C10H6ClN3O3 — CID 91903136

IUPAC2-(3-chlorophenoxy)-5-nitropyrimidine
SMILESO=[N+]([O-])c1cnc(Oc2cccc(Cl)c2)nc1
InChIInChI=1S/C10H6ClN3O3/c11-7-2-1-3-9(4-7)17-10-12-5-8(6-13-10)14(15)16/h1-6H
InChIKeyHQFAZNOABZRQRE-UHFFFAOYSA-N
MW251.63 g/mol
LogP2.83
Rot. Bonds3

About 2-(3-chlorophenoxy)-5-nitropyrimidine

2-(3-chlorophenoxy)-5-nitropyrimidine (PubChem CID 91903136) has the molecular formula C10H6ClN3O3 and a molecular weight of 251.63 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-5-nitropyrimidine.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-5-nitropyrimidine
PubChem CID91903136
Molecular FormulaC10H6ClN3O3
Molecular Weight251.63 g/mol
Exact Mass251.01
IUPAC Name2-(3-chlorophenoxy)-5-nitropyrimidine
SMILESO=[N+]([O-])c1cnc(Oc2cccc(Cl)c2)nc1
InChIInChI=1S/C10H6ClN3O3/c11-7-2-1-3-9(4-7)17-10-12-5-8(6-13-10)14(15)16/h1-6H
InChIKeyHQFAZNOABZRQRE-UHFFFAOYSA-N
XLogP2.83
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.63
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-fluorophenoxy)-5-nitropyrimidine
CID 91903137
5-chloro-2-(3-chlorophenoxy)pyrimidine
CID 13336560
1-chloro-3-(4-nitrophenoxy)benzene
CID 16815
2-(3-chlorophenyl)-5-nitropyrimidine
CID 67287515
1-(3-chlorophenoxy)-3-fluoro-5-nitrobenzene
CID 80753305
2-(3-chlorophenyl)-2-(5-nitropyrimidin-2-yl)oxyacetic acid
CID 175070127
4-(5-nitropyrimidin-2-yl)oxyaniline
CID 61147692
2-(3-ethoxy-4-methylphenoxy)-5-nitropyrimidine
CID 67236723
3-bromo-5-chloro-2-(3-nitrophenoxy)pyridine
CID 114837695
2-(chloromethyl)-1-(3-chlorophenoxy)-4-nitrobenzene
CID 28964841
5-chloro-2-(3-methoxyphenoxy)pyrimidine
CID 71402141
6-(3-chlorophenoxy)-5-nitropyridin-2-amine
CID 80869741

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-5-nitropyrimidine?
The IUPAC name of 2-(3-chlorophenoxy)-5-nitropyrimidine (CID 91903136) is 2-(3-chlorophenoxy)-5-nitropyrimidine.
What is the SMILES notation for 2-(3-chlorophenoxy)-5-nitropyrimidine?
The canonical SMILES for 2-(3-chlorophenoxy)-5-nitropyrimidine is O=[N+]([O-])c1cnc(Oc2cccc(Cl)c2)nc1.
What is the InChIKey of 2-(3-chlorophenoxy)-5-nitropyrimidine?
The InChIKey is HQFAZNOABZRQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3O3/c11-7-2-1-3-9(4-7)17-10-12-5-8(6-13-10)14(15)16/h1-6H.
What are the key properties of 2-(3-chlorophenoxy)-5-nitropyrimidine?
2-(3-chlorophenoxy)-5-nitropyrimidine has a molecular weight of 251.63 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-5-nitropyrimidine is sourced from PubChem (CID 91903136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).