2-chloro-5-nitro-4-phenoxypyrimidine

C10H6ClN3O3 — CID 58243056

IUPAC2-chloro-5-nitro-4-phenoxypyrimidine
SMILESO=[N+]([O-])c1cnc(Cl)nc1Oc1ccccc1
InChIInChI=1S/C10H6ClN3O3/c11-10-12-6-8(14(15)16)9(13-10)17-7-4-2-1-3-5-7/h1-6H
InChIKeyPVWQKCDWEXGQET-UHFFFAOYSA-N
MW251.63 g/mol
LogP2.83
Rot. Bonds3

About 2-chloro-5-nitro-4-phenoxypyrimidine

2-chloro-5-nitro-4-phenoxypyrimidine (PubChem CID 58243056) has the molecular formula C10H6ClN3O3 and a molecular weight of 251.63 g/mol. Its IUPAC name is 2-chloro-5-nitro-4-phenoxypyrimidine.

Molecular Properties

Compound Name2-chloro-5-nitro-4-phenoxypyrimidine
PubChem CID58243056
Molecular FormulaC10H6ClN3O3
Molecular Weight251.63 g/mol
Exact Mass251.01
IUPAC Name2-chloro-5-nitro-4-phenoxypyrimidine
SMILESO=[N+]([O-])c1cnc(Cl)nc1Oc1ccccc1
InChIInChI=1S/C10H6ClN3O3/c11-10-12-6-8(14(15)16)9(13-10)17-7-4-2-1-3-5-7/h1-6H
InChIKeyPVWQKCDWEXGQET-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-nitro-4-phenoxypyrimidine?
The IUPAC name of 2-chloro-5-nitro-4-phenoxypyrimidine (CID 58243056) is 2-chloro-5-nitro-4-phenoxypyrimidine.
What is the SMILES notation for 2-chloro-5-nitro-4-phenoxypyrimidine?
The canonical SMILES for 2-chloro-5-nitro-4-phenoxypyrimidine is O=[N+]([O-])c1cnc(Cl)nc1Oc1ccccc1.
What is the InChIKey of 2-chloro-5-nitro-4-phenoxypyrimidine?
The InChIKey is PVWQKCDWEXGQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3O3/c11-10-12-6-8(14(15)16)9(13-10)17-7-4-2-1-3-5-7/h1-6H.
What are the key properties of 2-chloro-5-nitro-4-phenoxypyrimidine?
2-chloro-5-nitro-4-phenoxypyrimidine 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-chloro-5-nitro-4-phenoxypyrimidine is sourced from PubChem (CID 58243056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).