2-[(5-bromo-2-pyridinyl)oxy]-4-methylphenol

C12H10BrNO2 — CID 168963794

IUPAC2-[(5-bromo-2-pyridinyl)oxy]-4-methylphenol
SMILESCc1ccc(O)c(Oc2ccc(Br)cn2)c1
InChIInChI=1S/C12H10BrNO2/c1-8-2-4-10(15)11(6-8)16-12-5-3-9(13)7-14-12/h2-7,15H,1H3
InChIKeyNEXCJDDSNKBEOS-UHFFFAOYSA-N
MW280.12 g/mol
LogP3.65
Rot. Bonds2

About 2-[(5-bromo-2-pyridinyl)oxy]-4-methylphenol

2-[(5-bromo-2-pyridinyl)oxy]-4-methylphenol (PubChem CID 168963794) has the molecular formula C12H10BrNO2 and a molecular weight of 280.12 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)oxy]-4-methylphenol.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)oxy]-4-methylphenol
PubChem CID168963794
Molecular FormulaC12H10BrNO2
Molecular Weight280.12 g/mol
Exact Mass278.99
IUPAC Name2-[(5-bromo-2-pyridinyl)oxy]-4-methylphenol
SMILESCc1ccc(O)c(Oc2ccc(Br)cn2)c1
InChIInChI=1S/C12H10BrNO2/c1-8-2-4-10(15)11(6-8)16-12-5-3-9(13)7-14-12/h2-7,15H,1H3
InChIKeyNEXCJDDSNKBEOS-UHFFFAOYSA-N
XLogP3.65
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-2-pyridinyl)oxy]-4-methylbenzoic acid
CID 61395820
5-bromo-2-(2-tert-butyl-4-methylphenoxy)pyridine
CID 63463834
5-bromo-2-(4-methyl-2-nitrophenoxy)pyridine
CID 61374554
4-[(5-bromo-2-pyridinyl)oxy]phenol
CID 12940619
[6-(2-chloro-4-methylphenoxy)-3-pyridinyl]methanol
CID 62672212
6-(5-bromo-2-methylphenoxy)pyridin-3-amine
CID 107283348
2-(5-bromo-2,3-difluorophenoxy)-5-methylpyridine
CID 107099142
5-(bromomethyl)-2-(2,4-dimethylphenoxy)pyridine
CID 107086693
5-bromo-2-(2-methyl-5-nitrophenoxy)pyridine
CID 61373997
2-[(5-bromo-2-pyridinyl)oxy]-5-iodobenzoic acid
CID 107732384
5-bromo-2-methoxypyridine
CID 2734895
2-[(5-bromo-2-pyridinyl)oxy]-4-methoxybenzoic acid
CID 61395986

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)oxy]-4-methylphenol?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)oxy]-4-methylphenol (CID 168963794) is 2-[(5-bromo-2-pyridinyl)oxy]-4-methylphenol.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)oxy]-4-methylphenol?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)oxy]-4-methylphenol is Cc1ccc(O)c(Oc2ccc(Br)cn2)c1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)oxy]-4-methylphenol?
The InChIKey is NEXCJDDSNKBEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2/c1-8-2-4-10(15)11(6-8)16-12-5-3-9(13)7-14-12/h2-7,15H,1H3.
What are the key properties of 2-[(5-bromo-2-pyridinyl)oxy]-4-methylphenol?
2-[(5-bromo-2-pyridinyl)oxy]-4-methylphenol has a molecular weight of 280.12 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)oxy]-4-methylphenol is sourced from PubChem (CID 168963794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).