[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methanol

C13H11BrFNO2 — CID 80629216

IUPAC[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methanol
SMILESCc1cc(CO)cnc1Oc1ccc(F)cc1Br
InChIInChI=1S/C13H11BrFNO2/c1-8-4-9(7-17)6-16-13(8)18-12-3-2-10(15)5-11(12)14/h2-6,17H,7H2,1H3
InChIKeyRBTJIIVWDSBMGI-UHFFFAOYSA-N
MW312.14 g/mol
LogP3.58
Rot. Bonds3

About [6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methanol

[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methanol (PubChem CID 80629216) has the molecular formula C13H11BrFNO2 and a molecular weight of 312.14 g/mol. Its IUPAC name is [6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methanol
PubChem CID80629216
Molecular FormulaC13H11BrFNO2
Molecular Weight312.14 g/mol
Exact Mass311.00
IUPAC Name[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methanol
SMILESCc1cc(CO)cnc1Oc1ccc(F)cc1Br
InChIInChI=1S/C13H11BrFNO2/c1-8-4-9(7-17)6-16-13(8)18-12-3-2-10(15)5-11(12)14/h2-6,17H,7H2,1H3
InChIKeyRBTJIIVWDSBMGI-UHFFFAOYSA-N
XLogP3.58
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 80640534
[6-(4-bromo-3-fluorophenoxy)-5-methyl-3-pyridinyl]methanol
CID 80628936
[6-(2-ethoxyphenoxy)-5-methyl-3-pyridinyl]methanol
CID 80628736
[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanol
CID 80628218
[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methanol
CID 80629406
5-bromo-2-(2-bromo-4-fluorophenoxy)-4-methylpyridine
CID 114869079
[2-(2-bromo-4-fluorophenoxy)-4-pyridinyl]methanol
CID 61255659
[5-chloro-6-(2,4-dibromophenoxy)-3-pyridinyl]methanol
CID 64721323
[6-(3,4-dimethylphenoxy)-5-methyl-3-pyridinyl]methanol
CID 80628087
2-[6-(2-bromo-4-methoxyphenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 104708631
[2-(2-bromo-4-fluorophenoxy)-5-fluorophenyl]methanol
CID 43313412
1-[6-(2,4-dibromophenoxy)-5-methyl-3-pyridinyl]propan-2-amine
CID 80639988

Frequently Asked Questions

What is the IUPAC name of [6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methanol?
The IUPAC name of [6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methanol (CID 80629216) is [6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methanol.
What is the SMILES notation for [6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methanol?
The canonical SMILES for [6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methanol is Cc1cc(CO)cnc1Oc1ccc(F)cc1Br.
What is the InChIKey of [6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methanol?
The InChIKey is RBTJIIVWDSBMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO2/c1-8-4-9(7-17)6-16-13(8)18-12-3-2-10(15)5-11(12)14/h2-6,17H,7H2,1H3.
What are the key properties of [6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methanol?
[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methanol has a molecular weight of 312.14 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methanol is sourced from PubChem (CID 80629216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).