2-(4-bromophenyl)-5-nitropyrimidine

C10H6BrN3O2 — CID 2842203

IUPAC2-(4-bromophenyl)-5-nitropyrimidine
SMILESO=[N+]([O-])c1cnc(-c2ccc(Br)cc2)nc1
InChIInChI=1S/C10H6BrN3O2/c11-8-3-1-7(2-4-8)10-12-5-9(6-13-10)14(15)16/h1-6H
InChIKeyMKNAZXDDXGCLQZ-UHFFFAOYSA-N
MW280.08 g/mol
LogP2.81
Rot. Bonds2

About 2-(4-bromophenyl)-5-nitropyrimidine

2-(4-bromophenyl)-5-nitropyrimidine (PubChem CID 2842203) has the molecular formula C10H6BrN3O2 and a molecular weight of 280.08 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-nitropyrimidine.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-nitropyrimidine
PubChem CID2842203
Molecular FormulaC10H6BrN3O2
Molecular Weight280.08 g/mol
Exact Mass278.96
IUPAC Name2-(4-bromophenyl)-5-nitropyrimidine
SMILESO=[N+]([O-])c1cnc(-c2ccc(Br)cc2)nc1
InChIInChI=1S/C10H6BrN3O2/c11-8-3-1-7(2-4-8)10-12-5-9(6-13-10)14(15)16/h1-6H
InChIKeyMKNAZXDDXGCLQZ-UHFFFAOYSA-N
XLogP2.81
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.08
LogP ≤ 52.81
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-(3-chlorophenyl)-5-nitropyrimidine
CID 67287515
1-bromo-4-nitrobenzene;ethane
CID 91498714
5-(1-methylpyridin-1-ium-4-yl)-2-(4-nitrophenyl)pyrimidine
CID 22416333
4-bromo-N-(5-nitro-2-pyridinyl)benzamide
CID 4180609
2-[(4-bromophenyl)methylsulfanyl]-5-nitropyridine
CID 4910238
3-(4-nitrophenyl)-1H-1,2,4-triazin-6-one
CID 70248032
1-bromo-4-(4-bromophenyl)-2-nitrobenzene
CID 58316117
3-(4-bromophenyl)-5-nitro-1,2-benzoxazole
CID 803669
3-(4-bromophenyl)-5-(2,4-dinitrophenyl)-1,2,4-oxadiazole
CID 8895320
2-(4-bromophenyl)-4-nitrophenol
CID 15039807
1-[(4-bromophenyl)-[(4-bromophenyl)-(4-nitrophenyl)methyl]sulfanylmethyl]-4-nitrobenzene
CID 141377983
1-[4-(4-bromophenyl)sulfanylphenyl]sulfanyl-4-nitrobenzene
CID 11774413

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-nitropyrimidine?
The IUPAC name of 2-(4-bromophenyl)-5-nitropyrimidine (CID 2842203) is 2-(4-bromophenyl)-5-nitropyrimidine.
What is the SMILES notation for 2-(4-bromophenyl)-5-nitropyrimidine?
The canonical SMILES for 2-(4-bromophenyl)-5-nitropyrimidine is O=[N+]([O-])c1cnc(-c2ccc(Br)cc2)nc1.
What is the InChIKey of 2-(4-bromophenyl)-5-nitropyrimidine?
The InChIKey is MKNAZXDDXGCLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrN3O2/c11-8-3-1-7(2-4-8)10-12-5-9(6-13-10)14(15)16/h1-6H.
What are the key properties of 2-(4-bromophenyl)-5-nitropyrimidine?
2-(4-bromophenyl)-5-nitropyrimidine has a molecular weight of 280.08 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-nitropyrimidine is sourced from PubChem (CID 2842203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).