2,4-dichloro-5-nitro(214C)pyrimidine

C4HCl2N3O2 — CID 89401246

IUPAC2,4-dichloro-5-nitro(214C)pyrimidine
SMILESO=[N+]([O-])c1cn[14c](Cl)nc1Cl
InChIInChI=1S/C4HCl2N3O2/c5-3-2(9(10)11)1-7-4(6)8-3/h1H/i4+2
InChIKeyINUSQTPGSHFGHM-DOMIDYPGSA-N
MW195.97 g/mol
LogP1.69
Rot. Bonds1

About 2,4-dichloro-5-nitro(214C)pyrimidine

2,4-dichloro-5-nitro(214C)pyrimidine (PubChem CID 89401246) has the molecular formula C4HCl2N3O2 and a molecular weight of 195.97 g/mol. Its IUPAC name is 2,4-dichloro-5-nitro(214C)pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-nitro(214C)pyrimidine
PubChem CID89401246
Molecular FormulaC4HCl2N3O2
Molecular Weight195.97 g/mol
Exact Mass194.95
IUPAC Name2,4-dichloro-5-nitro(214C)pyrimidine
SMILESO=[N+]([O-])c1cn[14c](Cl)nc1Cl
InChIInChI=1S/C4HCl2N3O2/c5-3-2(9(10)11)1-7-4(6)8-3/h1H/i4+2
InChIKeyINUSQTPGSHFGHM-DOMIDYPGSA-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 ≤ 500195.97
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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Related Compounds

2-chloro-5-fluoro-3-nitropyridine
CID 10773626
2-chloro-5-methyl-3-nitropyridine
CID 139082293
5-chloro-4-nitro-1H-pyrazole
CID 18769507
4-chloro-2,6-dinitrophenolate
CID 36690453
2-chloro-5-nitropyridine-3-carbaldehyde
CID 88905670
2-chloro-3-fluoro-4-methyl-5-nitropyridine
CID 151225607
2-chloro-3-nitropyrazine;4-chloro-5-nitropyrimidine
CID 158230025
2,3,4-trichloro-1,5-dinitrobenzene
CID 22875
6-chloro-5-nitropyridin-2-amine
CID 3069277
2,3-dichloro-4,6-dinitropyridine
CID 71429452
2-chloro-5-(fluoromethyl)-3-nitropyridine
CID 174286829
8-chloro-5-nitroisoquinoline
CID 53420876

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-nitro(214C)pyrimidine?
The IUPAC name of 2,4-dichloro-5-nitro(214C)pyrimidine (CID 89401246) is 2,4-dichloro-5-nitro(214C)pyrimidine.
What is the SMILES notation for 2,4-dichloro-5-nitro(214C)pyrimidine?
The canonical SMILES for 2,4-dichloro-5-nitro(214C)pyrimidine is O=[N+]([O-])c1cn[14c](Cl)nc1Cl.
What is the InChIKey of 2,4-dichloro-5-nitro(214C)pyrimidine?
The InChIKey is INUSQTPGSHFGHM-DOMIDYPGSA-N. The full InChI is InChI=1S/C4HCl2N3O2/c5-3-2(9(10)11)1-7-4(6)8-3/h1H/i4+2.
What are the key properties of 2,4-dichloro-5-nitro(214C)pyrimidine?
2,4-dichloro-5-nitro(214C)pyrimidine has a molecular weight of 195.97 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-nitro(214C)pyrimidine is sourced from PubChem (CID 89401246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).