2-bromo-6-(4-chloro-3-methylphenoxy)pyridine

C12H9BrClNO — CID 13175431

IUPAC2-bromo-6-(4-chloro-3-methylphenoxy)pyridine
SMILESCc1cc(Oc2cccc(Br)n2)ccc1Cl
InChIInChI=1S/C12H9BrClNO/c1-8-7-9(5-6-10(8)14)16-12-4-2-3-11(13)15-12/h2-7H,1H3
InChIKeyANYNCAQZAZNYJP-UHFFFAOYSA-N
MW298.57 g/mol
LogP4.60
Rot. Bonds2

About 2-bromo-6-(4-chloro-3-methylphenoxy)pyridine

2-bromo-6-(4-chloro-3-methylphenoxy)pyridine (PubChem CID 13175431) has the molecular formula C12H9BrClNO and a molecular weight of 298.57 g/mol. Its IUPAC name is 2-bromo-6-(4-chloro-3-methylphenoxy)pyridine.

Molecular Properties

Compound Name2-bromo-6-(4-chloro-3-methylphenoxy)pyridine
PubChem CID13175431
Molecular FormulaC12H9BrClNO
Molecular Weight298.57 g/mol
Exact Mass296.96
IUPAC Name2-bromo-6-(4-chloro-3-methylphenoxy)pyridine
SMILESCc1cc(Oc2cccc(Br)n2)ccc1Cl
InChIInChI=1S/C12H9BrClNO/c1-8-7-9(5-6-10(8)14)16-12-4-2-3-11(13)15-12/h2-7H,1H3
InChIKeyANYNCAQZAZNYJP-UHFFFAOYSA-N
XLogP4.60
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.57
LogP ≤ 54.60
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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Related Compounds

N-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62298102
2-bromo-6-(3-bromophenoxy)pyridine
CID 63962984
4-chloro-6-(4-chloro-3-methylphenoxy)-2-propan-2-ylpyrimidine
CID 80949504
N-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62296527
2-bromo-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine
CID 63961923
2-bromo-6-(3-ethoxyphenoxy)pyridine
CID 817495
2-bromo-6-[3-(chloromethyl)phenoxy]pyridine
CID 171460464
7-[(6-bromo-2-pyridinyl)oxy]-4-methylchromen-2-one
CID 63963411
2-bromo-6-(2,3-dimethylphenoxy)pyridine
CID 63961920
2-bromo-6-[3-(difluoromethoxy)phenoxy]pyridine
CID 166791204
[6-(3,4-dichlorophenoxy)-2-pyridinyl]methanamine
CID 62322079
[6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 80917345

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(4-chloro-3-methylphenoxy)pyridine?
The IUPAC name of 2-bromo-6-(4-chloro-3-methylphenoxy)pyridine (CID 13175431) is 2-bromo-6-(4-chloro-3-methylphenoxy)pyridine.
What is the SMILES notation for 2-bromo-6-(4-chloro-3-methylphenoxy)pyridine?
The canonical SMILES for 2-bromo-6-(4-chloro-3-methylphenoxy)pyridine is Cc1cc(Oc2cccc(Br)n2)ccc1Cl.
What is the InChIKey of 2-bromo-6-(4-chloro-3-methylphenoxy)pyridine?
The InChIKey is ANYNCAQZAZNYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNO/c1-8-7-9(5-6-10(8)14)16-12-4-2-3-11(13)15-12/h2-7H,1H3.
What are the key properties of 2-bromo-6-(4-chloro-3-methylphenoxy)pyridine?
2-bromo-6-(4-chloro-3-methylphenoxy)pyridine has a molecular weight of 298.57 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(4-chloro-3-methylphenoxy)pyridine is sourced from PubChem (CID 13175431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).