2-chloro-5-methyl-4-(3-nitrophenoxy)pyrimidine

C11H8ClN3O3 — CID 79076239

IUPAC2-chloro-5-methyl-4-(3-nitrophenoxy)pyrimidine
SMILESCc1cnc(Cl)nc1Oc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H8ClN3O3/c1-7-6-13-11(12)14-10(7)18-9-4-2-3-8(5-9)15(16)17/h2-6H,1H3
InChIKeyHPGOTSOUNWGVGK-UHFFFAOYSA-N
MW265.66 g/mol
LogP3.14
Rot. Bonds3

About 2-chloro-5-methyl-4-(3-nitrophenoxy)pyrimidine

2-chloro-5-methyl-4-(3-nitrophenoxy)pyrimidine (PubChem CID 79076239) has the molecular formula C11H8ClN3O3 and a molecular weight of 265.66 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-(3-nitrophenoxy)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-methyl-4-(3-nitrophenoxy)pyrimidine
PubChem CID79076239
Molecular FormulaC11H8ClN3O3
Molecular Weight265.66 g/mol
Exact Mass265.03
IUPAC Name2-chloro-5-methyl-4-(3-nitrophenoxy)pyrimidine
SMILESCc1cnc(Cl)nc1Oc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H8ClN3O3/c1-7-6-13-11(12)14-10(7)18-9-4-2-3-8(5-9)15(16)17/h2-6H,1H3
InChIKeyHPGOTSOUNWGVGK-UHFFFAOYSA-N
XLogP3.14
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.66
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-methyl-4-(3-methyl-2-nitrophenoxy)pyrimidine
CID 79076039
5-(chloromethyl)-3-methyl-2-(3-nitrophenoxy)pyridine
CID 80627929
3-bromo-5-chloro-2-(3-nitrophenoxy)pyridine
CID 114837695
[5-methyl-6-(3-nitrophenoxy)-3-pyridinyl]methanol
CID 80629220
3-bromo-4-methyl-2-(3-nitrophenoxy)pyridine
CID 106877947
2-chloro-4-(4,5-dichloro-2-nitrophenoxy)-5-methylpyrimidine
CID 107499651
2-chloro-5-methyl-4-[(3-nitrophenyl)methyl]pyrimidine
CID 161470493
5-bromo-2-chloro-4-(2-methyl-5-nitrophenoxy)pyrimidine
CID 79075514
2-chloro-4-(3-ethylphenoxy)-5-nitropyrimidine
CID 114044199
5-chloro-N-ethyl-4-(3-nitrophenoxy)pyrimidin-2-amine
CID 80871947
2-methyl-5-(3-nitrophenoxy)pyridine
CID 59712225
4,6-dimethyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid
CID 60677891

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-4-(3-nitrophenoxy)pyrimidine?
The IUPAC name of 2-chloro-5-methyl-4-(3-nitrophenoxy)pyrimidine (CID 79076239) is 2-chloro-5-methyl-4-(3-nitrophenoxy)pyrimidine.
What is the SMILES notation for 2-chloro-5-methyl-4-(3-nitrophenoxy)pyrimidine?
The canonical SMILES for 2-chloro-5-methyl-4-(3-nitrophenoxy)pyrimidine is Cc1cnc(Cl)nc1Oc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-chloro-5-methyl-4-(3-nitrophenoxy)pyrimidine?
The InChIKey is HPGOTSOUNWGVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O3/c1-7-6-13-11(12)14-10(7)18-9-4-2-3-8(5-9)15(16)17/h2-6H,1H3.
What are the key properties of 2-chloro-5-methyl-4-(3-nitrophenoxy)pyrimidine?
2-chloro-5-methyl-4-(3-nitrophenoxy)pyrimidine has a molecular weight of 265.66 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-4-(3-nitrophenoxy)pyrimidine is sourced from PubChem (CID 79076239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).