2-(3-chlorophenyl)-5-nitropyrimidine

C10H6ClN3O2 — CID 67287515

IUPAC2-(3-chlorophenyl)-5-nitropyrimidine
SMILESO=[N+]([O-])c1cnc(-c2cccc(Cl)c2)nc1
InChIInChI=1S/C10H6ClN3O2/c11-8-3-1-2-7(4-8)10-12-5-9(6-13-10)14(15)16/h1-6H
InChIKeyWZXQKHYWWPNGFE-UHFFFAOYSA-N
MW235.63 g/mol
LogP2.71
Rot. Bonds2

About 2-(3-chlorophenyl)-5-nitropyrimidine

2-(3-chlorophenyl)-5-nitropyrimidine (PubChem CID 67287515) has the molecular formula C10H6ClN3O2 and a molecular weight of 235.63 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-nitropyrimidine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-nitropyrimidine
PubChem CID67287515
Molecular FormulaC10H6ClN3O2
Molecular Weight235.63 g/mol
Exact Mass235.01
IUPAC Name2-(3-chlorophenyl)-5-nitropyrimidine
SMILESO=[N+]([O-])c1cnc(-c2cccc(Cl)c2)nc1
InChIInChI=1S/C10H6ClN3O2/c11-8-3-1-2-7(4-8)10-12-5-9(6-13-10)14(15)16/h1-6H
InChIKeyWZXQKHYWWPNGFE-UHFFFAOYSA-N
XLogP2.71
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.63
LogP ≤ 52.71
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-chlorophenoxy)-5-nitropyrimidine
CID 91903136
2-(3-chlorophenyl)-6-nitro-[1,2,4]triazolo[1,5-a]pyridine
CID 82566512
2-(3-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 2806323
2-[2-(3-chlorophenyl)pyrimidin-5-yl]ethanol
CID 67322383
2-(4-bromophenyl)-5-nitropyrimidine
CID 2842203
2-chloro-4-(3-nitrophenyl)-1,3,5-triazine
CID 50998940
1-(3-chlorophenyl)-2-[3-(3-nitrophenyl)-1,2,4-triazol-1-yl]ethanol
CID 111476946
2-(3-chlorophenyl)-2-(5-nitropyrimidin-2-yl)oxyacetic acid
CID 175070127
1-[2-(3-nitrophenyl)pyrimidin-5-yl]propan-2-amine
CID 62757546
2-(3-chlorophenyl)-5-(methoxymethyl)pyrimidine
CID 67321808
2-[(3-chlorophenyl)methylamino]-5-nitropyridine-3-carbonitrile
CID 60678575
3,5-dinitro-2-phenylpyridine
CID 14948543

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-nitropyrimidine?
The IUPAC name of 2-(3-chlorophenyl)-5-nitropyrimidine (CID 67287515) is 2-(3-chlorophenyl)-5-nitropyrimidine.
What is the SMILES notation for 2-(3-chlorophenyl)-5-nitropyrimidine?
The canonical SMILES for 2-(3-chlorophenyl)-5-nitropyrimidine is O=[N+]([O-])c1cnc(-c2cccc(Cl)c2)nc1.
What is the InChIKey of 2-(3-chlorophenyl)-5-nitropyrimidine?
The InChIKey is WZXQKHYWWPNGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3O2/c11-8-3-1-2-7(4-8)10-12-5-9(6-13-10)14(15)16/h1-6H.
What are the key properties of 2-(3-chlorophenyl)-5-nitropyrimidine?
2-(3-chlorophenyl)-5-nitropyrimidine has a molecular weight of 235.63 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-nitropyrimidine is sourced from PubChem (CID 67287515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).