[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]methanol

C13H11BrFNO2 — CID 107690477

IUPAC[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]methanol
SMILESOCc1ccc(OCc2cncc(Br)c2)c(F)c1
InChIInChI=1S/C13H11BrFNO2/c14-11-3-10(5-16-6-11)8-18-13-2-1-9(7-17)4-12(13)15/h1-6,17H,7-8H2
InChIKeyXCMAAURTLKATHC-UHFFFAOYSA-N
MW312.14 g/mol
LogP3.05
Rot. Bonds4

About [4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]methanol

[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]methanol (PubChem CID 107690477) has the molecular formula C13H11BrFNO2 and a molecular weight of 312.14 g/mol. Its IUPAC name is [4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]methanol
PubChem CID107690477
Molecular FormulaC13H11BrFNO2
Molecular Weight312.14 g/mol
Exact Mass311.00
IUPAC Name[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]methanol
SMILESOCc1ccc(OCc2cncc(Br)c2)c(F)c1
InChIInChI=1S/C13H11BrFNO2/c14-11-3-10(5-16-6-11)8-18-13-2-1-9(7-17)4-12(13)15/h1-6,17H,7-8H2
InChIKeyXCMAAURTLKATHC-UHFFFAOYSA-N
XLogP3.05
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]butan-2-amine
CID 107693394
N-[[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]methyl]propan-1-amine
CID 107687153
3-bromo-5-[(2,4-dichlorophenoxy)methyl]pyridine
CID 115580492
[4-[(2-bromo-3-fluorophenyl)methoxy]-3-fluorophenyl]methanol
CID 107690498
3-bromo-5-[[4-(chloromethyl)-2-(trifluoromethyl)phenoxy]methyl]pyridine
CID 104799161
3-bromo-5-[(2,4-dimethylphenoxy)methyl]pyridine
CID 115580431
2-[(5-bromo-3-pyridinyl)methoxy]-6-fluorobenzonitrile
CID 115766284
2-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanamine
CID 104807611
2-[(5-bromo-3-pyridinyl)methoxy]-5-fluorobenzenesulfonamide
CID 113454566
3-bromo-5-[(2-methoxyphenoxy)methyl]pyridine
CID 115580496
3-bromo-5-[(3-chloro-4-fluorophenoxy)methyl]pyridine
CID 115580509
3-bromo-4-[(5-bromo-3-pyridinyl)methoxy]benzenesulfonyl chloride
CID 104796585

Frequently Asked Questions

What is the IUPAC name of [4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]methanol?
The IUPAC name of [4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]methanol (CID 107690477) is [4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]methanol.
What is the SMILES notation for [4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]methanol?
The canonical SMILES for [4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]methanol is OCc1ccc(OCc2cncc(Br)c2)c(F)c1.
What is the InChIKey of [4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]methanol?
The InChIKey is XCMAAURTLKATHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO2/c14-11-3-10(5-16-6-11)8-18-13-2-1-9(7-17)4-12(13)15/h1-6,17H,7-8H2.
What are the key properties of [4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]methanol?
[4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]methanol has a molecular weight of 312.14 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-bromo-3-pyridinyl)methoxy]-3-fluorophenyl]methanol is sourced from PubChem (CID 107690477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).