2-phenylpyrimidine-4,6-dicarbonyl chloride

C12H6Cl2N2O2 — CID 71368048

IUPAC2-phenylpyrimidine-4,6-dicarbonyl chloride
SMILESO=C(Cl)c1cc(C(=O)Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C12H6Cl2N2O2/c13-10(17)8-6-9(11(14)18)16-12(15-8)7-4-2-1-3-5-7/h1-6H
InChIKeyZEAOKRZGNRUZRM-UHFFFAOYSA-N
MW281.10 g/mol
LogP2.90
Rot. Bonds3

About 2-phenylpyrimidine-4,6-dicarbonyl chloride

2-phenylpyrimidine-4,6-dicarbonyl chloride (PubChem CID 71368048) has the molecular formula C12H6Cl2N2O2 and a molecular weight of 281.10 g/mol. Its IUPAC name is 2-phenylpyrimidine-4,6-dicarbonyl chloride.

Molecular Properties

Compound Name2-phenylpyrimidine-4,6-dicarbonyl chloride
PubChem CID71368048
Molecular FormulaC12H6Cl2N2O2
Molecular Weight281.10 g/mol
Exact Mass279.98
IUPAC Name2-phenylpyrimidine-4,6-dicarbonyl chloride
SMILESO=C(Cl)c1cc(C(=O)Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C12H6Cl2N2O2/c13-10(17)8-6-9(11(14)18)16-12(15-8)7-4-2-1-3-5-7/h1-6H
InChIKeyZEAOKRZGNRUZRM-UHFFFAOYSA-N
XLogP2.90
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.10
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

[4-(2,6-diphenylpyrimidine-4-carbonyl)oxyphenyl] 2,6-diphenylpyrimidine-4-carboxylate
CID 153305203
6-(dimethylamino)-2-phenylpyrimidine-4-carboxylic acid
CID 82170133
4-(2,6-dicarbonochloridoyl-4-pyridinyl)pyridine-2,6-dicarbonyl chloride
CID 14363359
2-phenylquinazoline-7-carbonyl chloride
CID 169130790
ethyl 2,6-diphenylpyrimidine-4-carboxylate
CID 15372800
2-phenylpyridine-4-carbonyl chloride
CID 139270869
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943623
2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943296
phenyl-(2,4,6-triphenylpyrimidin-5-yl)methanone
CID 12782476
N,2-diphenylpyrimidine-4-carboxamide
CID 139433813
6-(2-methylpropyl)-2-phenylpyrimidine-4-carboxamide
CID 141154535
N-(4,6-dichloro-2-phenylpyrimidin-5-yl)acetamide
CID 86260174

Frequently Asked Questions

What is the IUPAC name of 2-phenylpyrimidine-4,6-dicarbonyl chloride?
The IUPAC name of 2-phenylpyrimidine-4,6-dicarbonyl chloride (CID 71368048) is 2-phenylpyrimidine-4,6-dicarbonyl chloride.
What is the SMILES notation for 2-phenylpyrimidine-4,6-dicarbonyl chloride?
The canonical SMILES for 2-phenylpyrimidine-4,6-dicarbonyl chloride is O=C(Cl)c1cc(C(=O)Cl)nc(-c2ccccc2)n1.
What is the InChIKey of 2-phenylpyrimidine-4,6-dicarbonyl chloride?
The InChIKey is ZEAOKRZGNRUZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2O2/c13-10(17)8-6-9(11(14)18)16-12(15-8)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 2-phenylpyrimidine-4,6-dicarbonyl chloride?
2-phenylpyrimidine-4,6-dicarbonyl chloride has a molecular weight of 281.10 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpyrimidine-4,6-dicarbonyl chloride is sourced from PubChem (CID 71368048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).