6-bromo-2-chloro-3-methoxy-4-methylpyridine

C7H7BrClNO — CID 121230181

IUPAC6-bromo-2-chloro-3-methoxy-4-methylpyridine
SMILESCOc1c(C)cc(Br)nc1Cl
InChIInChI=1S/C7H7BrClNO/c1-4-3-5(8)10-7(9)6(4)11-2/h3H,1-2H3
InChIKeyWUOCYPJPONQBDU-UHFFFAOYSA-N
MW236.50 g/mol
LogP2.81
Rot. Bonds1

About 6-bromo-2-chloro-3-methoxy-4-methylpyridine

6-bromo-2-chloro-3-methoxy-4-methylpyridine (PubChem CID 121230181) has the molecular formula C7H7BrClNO and a molecular weight of 236.50 g/mol. Its IUPAC name is 6-bromo-2-chloro-3-methoxy-4-methylpyridine.

Molecular Properties

Compound Name6-bromo-2-chloro-3-methoxy-4-methylpyridine
PubChem CID121230181
Molecular FormulaC7H7BrClNO
Molecular Weight236.50 g/mol
Exact Mass234.94
IUPAC Name6-bromo-2-chloro-3-methoxy-4-methylpyridine
SMILESCOc1c(C)cc(Br)nc1Cl
InChIInChI=1S/C7H7BrClNO/c1-4-3-5(8)10-7(9)6(4)11-2/h3H,1-2H3
InChIKeyWUOCYPJPONQBDU-UHFFFAOYSA-N
XLogP2.81
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.50
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloro-3-methoxy-4-methylpyridine?
The IUPAC name of 6-bromo-2-chloro-3-methoxy-4-methylpyridine (CID 121230181) is 6-bromo-2-chloro-3-methoxy-4-methylpyridine.
What is the SMILES notation for 6-bromo-2-chloro-3-methoxy-4-methylpyridine?
The canonical SMILES for 6-bromo-2-chloro-3-methoxy-4-methylpyridine is COc1c(C)cc(Br)nc1Cl.
What is the InChIKey of 6-bromo-2-chloro-3-methoxy-4-methylpyridine?
The InChIKey is WUOCYPJPONQBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClNO/c1-4-3-5(8)10-7(9)6(4)11-2/h3H,1-2H3.
What are the key properties of 6-bromo-2-chloro-3-methoxy-4-methylpyridine?
6-bromo-2-chloro-3-methoxy-4-methylpyridine has a molecular weight of 236.50 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-chloro-3-methoxy-4-methylpyridine is sourced from PubChem (CID 121230181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).