4-chloro-6-(2-methyl-3-nitrophenoxy)pyrimidine

C11H8ClN3O3 — CID 61277340

IUPAC4-chloro-6-(2-methyl-3-nitrophenoxy)pyrimidine
SMILESCc1c(Oc2cc(Cl)ncn2)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H8ClN3O3/c1-7-8(15(16)17)3-2-4-9(7)18-11-5-10(12)13-6-14-11/h2-6H,1H3
InChIKeySPBYBWRIUZJLKE-UHFFFAOYSA-N
MW265.66 g/mol
LogP3.14
Rot. Bonds3

About 4-chloro-6-(2-methyl-3-nitrophenoxy)pyrimidine

4-chloro-6-(2-methyl-3-nitrophenoxy)pyrimidine (PubChem CID 61277340) has the molecular formula C11H8ClN3O3 and a molecular weight of 265.66 g/mol. Its IUPAC name is 4-chloro-6-(2-methyl-3-nitrophenoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-methyl-3-nitrophenoxy)pyrimidine
PubChem CID61277340
Molecular FormulaC11H8ClN3O3
Molecular Weight265.66 g/mol
Exact Mass265.03
IUPAC Name4-chloro-6-(2-methyl-3-nitrophenoxy)pyrimidine
SMILESCc1c(Oc2cc(Cl)ncn2)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H8ClN3O3/c1-7-8(15(16)17)3-2-4-9(7)18-11-5-10(12)13-6-14-11/h2-6H,1H3
InChIKeySPBYBWRIUZJLKE-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

3-chloro-6-(2-methyl-3-nitrophenoxy)pyridazine
CID 54915539
4-chloro-5-ethyl-6-(2-methyl-3-nitrophenoxy)pyrimidine
CID 63735054
5-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine
CID 80875823
5-(2-methyl-3-nitrophenoxy)pyrazin-2-amine
CID 80663589
2-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine
CID 80875828
4-chloro-6-(4-methoxy-3-nitrophenoxy)pyrimidine
CID 103201625
1-(3-chloro-2-nitrophenoxy)-2-methyl-3-nitrobenzene
CID 104835380
4-chloro-2,5-dimethyl-6-(2-methyl-3-nitrophenoxy)pyrimidine
CID 63734876
2-methyl-5-(2-methyl-3-nitrophenoxy)pyridine
CID 69456314
5-methyl-6-(2-methyl-3-nitrophenoxy)pyridine-3-carboxylic acid
CID 80632599
6-chloro-N-[(2-methyl-3-nitrophenyl)methyl]pyrimidin-4-amine
CID 106196938
6-(2-methyl-3-nitrophenoxy)pyridine-3-carboximidamide
CID 61032434

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-methyl-3-nitrophenoxy)pyrimidine?
The IUPAC name of 4-chloro-6-(2-methyl-3-nitrophenoxy)pyrimidine (CID 61277340) is 4-chloro-6-(2-methyl-3-nitrophenoxy)pyrimidine.
What is the SMILES notation for 4-chloro-6-(2-methyl-3-nitrophenoxy)pyrimidine?
The canonical SMILES for 4-chloro-6-(2-methyl-3-nitrophenoxy)pyrimidine is Cc1c(Oc2cc(Cl)ncn2)cccc1[N+](=O)[O-].
What is the InChIKey of 4-chloro-6-(2-methyl-3-nitrophenoxy)pyrimidine?
The InChIKey is SPBYBWRIUZJLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O3/c1-7-8(15(16)17)3-2-4-9(7)18-11-5-10(12)13-6-14-11/h2-6H,1H3.
What are the key properties of 4-chloro-6-(2-methyl-3-nitrophenoxy)pyrimidine?
4-chloro-6-(2-methyl-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 4-chloro-6-(2-methyl-3-nitrophenoxy)pyrimidine is sourced from PubChem (CID 61277340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).