3-bromo-2-(4-chloro-3,5-dimethylphenoxy)pyridine

C13H11BrClNO — CID 63462709

IUPAC3-bromo-2-(4-chloro-3,5-dimethylphenoxy)pyridine
SMILESCc1cc(Oc2ncccc2Br)cc(C)c1Cl
InChIInChI=1S/C13H11BrClNO/c1-8-6-10(7-9(2)12(8)15)17-13-11(14)4-3-5-16-13/h3-7H,1-2H3
InChIKeyJTLCKWOLJFHDBT-UHFFFAOYSA-N
MW312.59 g/mol
LogP4.91
Rot. Bonds2

About 3-bromo-2-(4-chloro-3,5-dimethylphenoxy)pyridine

3-bromo-2-(4-chloro-3,5-dimethylphenoxy)pyridine (PubChem CID 63462709) has the molecular formula C13H11BrClNO and a molecular weight of 312.59 g/mol. Its IUPAC name is 3-bromo-2-(4-chloro-3,5-dimethylphenoxy)pyridine.

Molecular Properties

Compound Name3-bromo-2-(4-chloro-3,5-dimethylphenoxy)pyridine
PubChem CID63462709
Molecular FormulaC13H11BrClNO
Molecular Weight312.59 g/mol
Exact Mass310.97
IUPAC Name3-bromo-2-(4-chloro-3,5-dimethylphenoxy)pyridine
SMILESCc1cc(Oc2ncccc2Br)cc(C)c1Cl
InChIInChI=1S/C13H11BrClNO/c1-8-6-10(7-9(2)12(8)15)17-13-11(14)4-3-5-16-13/h3-7H,1-2H3
InChIKeyJTLCKWOLJFHDBT-UHFFFAOYSA-N
XLogP4.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.59
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carbaldehyde
CID 114055694
5-[(3-bromo-2-pyridinyl)oxy]-3-methyl-2-(trifluoromethyl)pyridine
CID 135246490
2-(4-bromo-3-methylphenoxy)-3-methylpyridine
CID 83139867
3-bromo-2-(4-chloro-3-ethylphenoxy)pyridine
CID 63462551
3-(4-chloro-3,5-dimethylphenoxy)pyrazin-2-amine
CID 102987996
3-bromo-2-(3-fluorophenoxy)pyridine
CID 55139159
3-[(3-bromo-2-pyridinyl)oxy]aniline
CID 61372982
2-(4-bromo-3,5-dimethylphenoxy)-3-ethoxypyridine
CID 107724263
3-bromo-2-[4-(1,1-difluoroethyl)phenoxy]pyridine
CID 135246459
6-(4-chloro-3,5-dimethylphenoxy)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 19144668
[2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-4-pyridinyl]methanamine
CID 107722438
4-[(3-bromo-2-pyridinyl)oxy]-3-methylbenzoic acid
CID 107672787

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(4-chloro-3,5-dimethylphenoxy)pyridine?
The IUPAC name of 3-bromo-2-(4-chloro-3,5-dimethylphenoxy)pyridine (CID 63462709) is 3-bromo-2-(4-chloro-3,5-dimethylphenoxy)pyridine.
What is the SMILES notation for 3-bromo-2-(4-chloro-3,5-dimethylphenoxy)pyridine?
The canonical SMILES for 3-bromo-2-(4-chloro-3,5-dimethylphenoxy)pyridine is Cc1cc(Oc2ncccc2Br)cc(C)c1Cl.
What is the InChIKey of 3-bromo-2-(4-chloro-3,5-dimethylphenoxy)pyridine?
The InChIKey is JTLCKWOLJFHDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO/c1-8-6-10(7-9(2)12(8)15)17-13-11(14)4-3-5-16-13/h3-7H,1-2H3.
What are the key properties of 3-bromo-2-(4-chloro-3,5-dimethylphenoxy)pyridine?
3-bromo-2-(4-chloro-3,5-dimethylphenoxy)pyridine has a molecular weight of 312.59 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(4-chloro-3,5-dimethylphenoxy)pyridine is sourced from PubChem (CID 63462709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).