2,4-dichloro-5-nitropyrimidine

C4HCl2N3O2 — CID 521266

IUPAC2,4-dichloro-5-nitropyrimidine
SMILESO=[N+]([O-])c1cnc(Cl)nc1Cl
InChIInChI=1S/C4HCl2N3O2/c5-3-2(9(10)11)1-7-4(6)8-3/h1H
InChIKeyINUSQTPGSHFGHM-UHFFFAOYSA-N
MW193.98 g/mol
LogP1.69
Rot. Bonds1

About 2,4-dichloro-5-nitropyrimidine

2,4-dichloro-5-nitropyrimidine (PubChem CID 521266) has the molecular formula C4HCl2N3O2 and a molecular weight of 193.98 g/mol. Its IUPAC name is 2,4-dichloro-5-nitropyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-nitropyrimidine
PubChem CID521266
Molecular FormulaC4HCl2N3O2
Molecular Weight193.98 g/mol
Exact Mass192.94
IUPAC Name2,4-dichloro-5-nitropyrimidine
SMILESO=[N+]([O-])c1cnc(Cl)nc1Cl
InChIInChI=1S/C4HCl2N3O2/c5-3-2(9(10)11)1-7-4(6)8-3/h1H
InChIKeyINUSQTPGSHFGHM-UHFFFAOYSA-N
XLogP1.69
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.98
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2,4-dichloro-5-nitropyrimidine?
The IUPAC name of 2,4-dichloro-5-nitropyrimidine (CID 521266) is 2,4-dichloro-5-nitropyrimidine.
What is the SMILES notation for 2,4-dichloro-5-nitropyrimidine?
The canonical SMILES for 2,4-dichloro-5-nitropyrimidine is O=[N+]([O-])c1cnc(Cl)nc1Cl.
What is the InChIKey of 2,4-dichloro-5-nitropyrimidine?
The InChIKey is INUSQTPGSHFGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HCl2N3O2/c5-3-2(9(10)11)1-7-4(6)8-3/h1H.
What are the key properties of 2,4-dichloro-5-nitropyrimidine?
2,4-dichloro-5-nitropyrimidine has a molecular weight of 193.98 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-nitropyrimidine is sourced from PubChem (CID 521266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).