2,5-dichloro-4-(4-nitropyrazol-1-yl)pyrimidine

C7H3Cl2N5O2 — CID 170551654

IUPAC2,5-dichloro-4-(4-nitropyrazol-1-yl)pyrimidine
SMILESO=[N+]([O-])c1cnn(-c2nc(Cl)ncc2Cl)c1
InChIInChI=1S/C7H3Cl2N5O2/c8-5-2-10-7(9)12-6(5)13-3-4(1-11-13)14(15)16/h1-3H
InChIKeyYBYRJIICZTWBTN-UHFFFAOYSA-N
MW260.04 g/mol
LogP1.88
Rot. Bonds2

About 2,5-dichloro-4-(4-nitropyrazol-1-yl)pyrimidine

2,5-dichloro-4-(4-nitropyrazol-1-yl)pyrimidine (PubChem CID 170551654) has the molecular formula C7H3Cl2N5O2 and a molecular weight of 260.04 g/mol. Its IUPAC name is 2,5-dichloro-4-(4-nitropyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name2,5-dichloro-4-(4-nitropyrazol-1-yl)pyrimidine
PubChem CID170551654
Molecular FormulaC7H3Cl2N5O2
Molecular Weight260.04 g/mol
Exact Mass258.97
IUPAC Name2,5-dichloro-4-(4-nitropyrazol-1-yl)pyrimidine
SMILESO=[N+]([O-])c1cnn(-c2nc(Cl)ncc2Cl)c1
InChIInChI=1S/C7H3Cl2N5O2/c8-5-2-10-7(9)12-6(5)13-3-4(1-11-13)14(15)16/h1-3H
InChIKeyYBYRJIICZTWBTN-UHFFFAOYSA-N
XLogP1.88
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.04
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

4-(4-bromopyrazol-1-yl)-2,5-dichloropyrimidine
CID 79633246
5-chloro-2-(4-nitropyrazol-1-yl)pyrimidine
CID 71974226
3-nitro-2-(4-nitropyrazol-1-yl)pyridine
CID 12661217
5-bromo-3-nitro-2-(4-nitropyrazol-1-yl)pyridine
CID 61373410
5-nitro-2-(4-nitropyrazol-1-yl)pyridine
CID 12602756
4-(2-chlorophenyl)-5-methyl-6-(4-nitropyrazol-1-yl)pyrimidin-2-amine
CID 175755611
4-nitro-1-phenylpyrazole
CID 2755894
6-bromo-2-(4-nitropyrazol-1-yl)pyrimidin-4-amine
CID 116798064
4-chloro-5-(difluoromethoxy)-1-methyl-3-(4-nitropyrazol-1-yl)pyrazole
CID 56619478
5-bromo-2-(4-nitropyrazol-1-yl)pyridine
CID 61373223
2-(4-nitropyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876568
N,N-dimethyl-4-(4-nitropyrazol-1-yl)aniline
CID 176615895

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(4-nitropyrazol-1-yl)pyrimidine?
The IUPAC name of 2,5-dichloro-4-(4-nitropyrazol-1-yl)pyrimidine (CID 170551654) is 2,5-dichloro-4-(4-nitropyrazol-1-yl)pyrimidine.
What is the SMILES notation for 2,5-dichloro-4-(4-nitropyrazol-1-yl)pyrimidine?
The canonical SMILES for 2,5-dichloro-4-(4-nitropyrazol-1-yl)pyrimidine is O=[N+]([O-])c1cnn(-c2nc(Cl)ncc2Cl)c1.
What is the InChIKey of 2,5-dichloro-4-(4-nitropyrazol-1-yl)pyrimidine?
The InChIKey is YBYRJIICZTWBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2N5O2/c8-5-2-10-7(9)12-6(5)13-3-4(1-11-13)14(15)16/h1-3H.
What are the key properties of 2,5-dichloro-4-(4-nitropyrazol-1-yl)pyrimidine?
2,5-dichloro-4-(4-nitropyrazol-1-yl)pyrimidine has a molecular weight of 260.04 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(4-nitropyrazol-1-yl)pyrimidine is sourced from PubChem (CID 170551654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).