6-(3-bromo-2-chlorophenyl)-4-chloro-2-methoxy-3-methylpyridine

C13H10BrCl2NO — CID 175347776

IUPAC6-(3-bromo-2-chlorophenyl)-4-chloro-2-methoxy-3-methylpyridine
SMILESCOc1nc(-c2cccc(Br)c2Cl)cc(Cl)c1C
InChIInChI=1S/C13H10BrCl2NO/c1-7-10(15)6-11(17-13(7)18-2)8-4-3-5-9(14)12(8)16/h3-6H,1-2H3
InChIKeyLHSBTJXSLPMGOA-UHFFFAOYSA-N
MW347.04 g/mol
LogP5.13
Rot. Bonds2

About 6-(3-bromo-2-chlorophenyl)-4-chloro-2-methoxy-3-methylpyridine

6-(3-bromo-2-chlorophenyl)-4-chloro-2-methoxy-3-methylpyridine (PubChem CID 175347776) has the molecular formula C13H10BrCl2NO and a molecular weight of 347.04 g/mol. Its IUPAC name is 6-(3-bromo-2-chlorophenyl)-4-chloro-2-methoxy-3-methylpyridine.

Molecular Properties

Compound Name6-(3-bromo-2-chlorophenyl)-4-chloro-2-methoxy-3-methylpyridine
PubChem CID175347776
Molecular FormulaC13H10BrCl2NO
Molecular Weight347.04 g/mol
Exact Mass344.93
IUPAC Name6-(3-bromo-2-chlorophenyl)-4-chloro-2-methoxy-3-methylpyridine
SMILESCOc1nc(-c2cccc(Br)c2Cl)cc(Cl)c1C
InChIInChI=1S/C13H10BrCl2NO/c1-7-10(15)6-11(17-13(7)18-2)8-4-3-5-9(14)12(8)16/h3-6H,1-2H3
InChIKeyLHSBTJXSLPMGOA-UHFFFAOYSA-N
XLogP5.13
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.04
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-2-chlorophenyl)-4-chloro-2-methoxy-3-methylpyridine?
The IUPAC name of 6-(3-bromo-2-chlorophenyl)-4-chloro-2-methoxy-3-methylpyridine (CID 175347776) is 6-(3-bromo-2-chlorophenyl)-4-chloro-2-methoxy-3-methylpyridine.
What is the SMILES notation for 6-(3-bromo-2-chlorophenyl)-4-chloro-2-methoxy-3-methylpyridine?
The canonical SMILES for 6-(3-bromo-2-chlorophenyl)-4-chloro-2-methoxy-3-methylpyridine is COc1nc(-c2cccc(Br)c2Cl)cc(Cl)c1C.
What is the InChIKey of 6-(3-bromo-2-chlorophenyl)-4-chloro-2-methoxy-3-methylpyridine?
The InChIKey is LHSBTJXSLPMGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2NO/c1-7-10(15)6-11(17-13(7)18-2)8-4-3-5-9(14)12(8)16/h3-6H,1-2H3.
What are the key properties of 6-(3-bromo-2-chlorophenyl)-4-chloro-2-methoxy-3-methylpyridine?
6-(3-bromo-2-chlorophenyl)-4-chloro-2-methoxy-3-methylpyridine has a molecular weight of 347.04 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-2-chlorophenyl)-4-chloro-2-methoxy-3-methylpyridine is sourced from PubChem (CID 175347776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).