3-bromo-2-(4-chloro-3-ethylphenoxy)pyridine

C13H11BrClNO — CID 63462551

IUPAC3-bromo-2-(4-chloro-3-ethylphenoxy)pyridine
SMILESCCc1cc(Oc2ncccc2Br)ccc1Cl
InChIInChI=1S/C13H11BrClNO/c1-2-9-8-10(5-6-12(9)15)17-13-11(14)4-3-7-16-13/h3-8H,2H2,1H3
InChIKeyLSQPOJZHCMENQS-UHFFFAOYSA-N
MW312.59 g/mol
LogP4.85
Rot. Bonds3

About 3-bromo-2-(4-chloro-3-ethylphenoxy)pyridine

3-bromo-2-(4-chloro-3-ethylphenoxy)pyridine (PubChem CID 63462551) has the molecular formula C13H11BrClNO and a molecular weight of 312.59 g/mol. Its IUPAC name is 3-bromo-2-(4-chloro-3-ethylphenoxy)pyridine.

Molecular Properties

Compound Name3-bromo-2-(4-chloro-3-ethylphenoxy)pyridine
PubChem CID63462551
Molecular FormulaC13H11BrClNO
Molecular Weight312.59 g/mol
Exact Mass310.97
IUPAC Name3-bromo-2-(4-chloro-3-ethylphenoxy)pyridine
SMILESCCc1cc(Oc2ncccc2Br)ccc1Cl
InChIInChI=1S/C13H11BrClNO/c1-2-9-8-10(5-6-12(9)15)17-13-11(14)4-3-7-16-13/h3-8H,2H2,1H3
InChIKeyLSQPOJZHCMENQS-UHFFFAOYSA-N
XLogP4.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.59
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-ethylphenoxy)pyridine-3-carbonitrile
CID 43212993
N-[[2-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62323648
3-bromo-2-(4-chloro-3,5-dimethylphenoxy)pyridine
CID 63462709
4-chloro-6-(4-chloro-3-ethylphenoxy)pyrimidin-5-amine
CID 60726316
2-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]acetic acid
CID 61395505
3-bromo-2-(4-butylphenoxy)pyridine
CID 115493013
2-(3-bromo-4-fluorophenoxy)-3-chloropyridine
CID 83234949
3-[(3-bromo-2-pyridinyl)oxy]aniline
CID 61372982
3-bromo-2-(3-fluorophenoxy)pyridine
CID 55139159
2-(4-chloro-3-ethylphenoxy)-5-iodopyrimidine
CID 116649173
2-[2-(4-chloro-3-ethylphenoxy)ethylsulfanyl]pyrimidine
CID 2199840
3-(4-chloro-3-ethylphenoxy)aniline
CID 11021230

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(4-chloro-3-ethylphenoxy)pyridine?
The IUPAC name of 3-bromo-2-(4-chloro-3-ethylphenoxy)pyridine (CID 63462551) is 3-bromo-2-(4-chloro-3-ethylphenoxy)pyridine.
What is the SMILES notation for 3-bromo-2-(4-chloro-3-ethylphenoxy)pyridine?
The canonical SMILES for 3-bromo-2-(4-chloro-3-ethylphenoxy)pyridine is CCc1cc(Oc2ncccc2Br)ccc1Cl.
What is the InChIKey of 3-bromo-2-(4-chloro-3-ethylphenoxy)pyridine?
The InChIKey is LSQPOJZHCMENQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO/c1-2-9-8-10(5-6-12(9)15)17-13-11(14)4-3-7-16-13/h3-8H,2H2,1H3.
What are the key properties of 3-bromo-2-(4-chloro-3-ethylphenoxy)pyridine?
3-bromo-2-(4-chloro-3-ethylphenoxy)pyridine has a molecular weight of 312.59 g/mol, XLogP of 4.85, 3 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-ethylphenoxy)pyridine is sourced from PubChem (CID 63462551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).