2-[(2-bromo-6-methyl-3-pyridinyl)oxy]-5-chloropyrimidine

C10H7BrClN3O — CID 133476901

IUPAC2-[(2-bromo-6-methyl-3-pyridinyl)oxy]-5-chloropyrimidine
SMILESCc1ccc(Oc2ncc(Cl)cn2)c(Br)n1
InChIInChI=1S/C10H7BrClN3O/c1-6-2-3-8(9(11)15-6)16-10-13-4-7(12)5-14-10/h2-5H,1H3
InChIKeyMFUFMKXFPCEKIC-UHFFFAOYSA-N
MW300.54 g/mol
LogP3.39
Rot. Bonds2

About 2-[(2-bromo-6-methyl-3-pyridinyl)oxy]-5-chloropyrimidine

2-[(2-bromo-6-methyl-3-pyridinyl)oxy]-5-chloropyrimidine (PubChem CID 133476901) has the molecular formula C10H7BrClN3O and a molecular weight of 300.54 g/mol. Its IUPAC name is 2-[(2-bromo-6-methyl-3-pyridinyl)oxy]-5-chloropyrimidine.

Molecular Properties

Compound Name2-[(2-bromo-6-methyl-3-pyridinyl)oxy]-5-chloropyrimidine
PubChem CID133476901
Molecular FormulaC10H7BrClN3O
Molecular Weight300.54 g/mol
Exact Mass298.95
IUPAC Name2-[(2-bromo-6-methyl-3-pyridinyl)oxy]-5-chloropyrimidine
SMILESCc1ccc(Oc2ncc(Cl)cn2)c(Br)n1
InChIInChI=1S/C10H7BrClN3O/c1-6-2-3-8(9(11)15-6)16-10-13-4-7(12)5-14-10/h2-5H,1H3
InChIKeyMFUFMKXFPCEKIC-UHFFFAOYSA-N
XLogP3.39
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.54
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-(5-chloropyrimidin-2-yl)oxypyrimidine
CID 168863078
2-bromo-3-methoxy-6-methylpyridine;ethane
CID 144796120
5-(bromomethyl)-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrimidine
CID 107089413
2-bromo-6-methyl-3-propan-2-yloxypyridine
CID 154814935
3-[(2-bromo-6-methyl-3-pyridinyl)oxy]-1-ethylpyrazin-2-one
CID 133476976
5-chloro-2-(2-iodophenoxy)pyrimidine
CID 79556845
2-benzyl-4-[(2-bromo-6-methyl-3-pyridinyl)oxy]pyrimidine
CID 133476998
[3-(5-chloropyrimidin-2-yl)oxy-4-methylanilino]sulfanyl N-methylcarbamate
CID 88513092
5-bromo-2-(2-chloro-4-methylphenoxy)-4-methoxypyrimidine
CID 106999317
2-bromo-6-methyl-3-[(6-methyl-5-nitro-2-pyridinyl)oxy]pyridine
CID 133476968
2-bromo-6-methyl-3-(5-methyl-2-nitrophenoxy)pyridine
CID 133476936
2,4-dichloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1,3,5-triazine
CID 103174578

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-6-methyl-3-pyridinyl)oxy]-5-chloropyrimidine?
The IUPAC name of 2-[(2-bromo-6-methyl-3-pyridinyl)oxy]-5-chloropyrimidine (CID 133476901) is 2-[(2-bromo-6-methyl-3-pyridinyl)oxy]-5-chloropyrimidine.
What is the SMILES notation for 2-[(2-bromo-6-methyl-3-pyridinyl)oxy]-5-chloropyrimidine?
The canonical SMILES for 2-[(2-bromo-6-methyl-3-pyridinyl)oxy]-5-chloropyrimidine is Cc1ccc(Oc2ncc(Cl)cn2)c(Br)n1.
What is the InChIKey of 2-[(2-bromo-6-methyl-3-pyridinyl)oxy]-5-chloropyrimidine?
The InChIKey is MFUFMKXFPCEKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClN3O/c1-6-2-3-8(9(11)15-6)16-10-13-4-7(12)5-14-10/h2-5H,1H3.
What are the key properties of 2-[(2-bromo-6-methyl-3-pyridinyl)oxy]-5-chloropyrimidine?
2-[(2-bromo-6-methyl-3-pyridinyl)oxy]-5-chloropyrimidine has a molecular weight of 300.54 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-6-methyl-3-pyridinyl)oxy]-5-chloropyrimidine is sourced from PubChem (CID 133476901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).