[6-(3-bromo-2-chlorophenyl)-5-fluoro-2-methoxy-3-pyridinyl]methanol

C13H10BrClFNO2 — CID 156822358

IUPAC[6-(3-bromo-2-chlorophenyl)-5-fluoro-2-methoxy-3-pyridinyl]methanol
SMILESCOc1nc(-c2cccc(Br)c2Cl)c(F)cc1CO
InChIInChI=1S/C13H10BrClFNO2/c1-19-13-7(6-18)5-10(16)12(17-13)8-3-2-4-9(14)11(8)15/h2-5,18H,6H2,1H3
InChIKeyDYGFDNDEAGEYSW-UHFFFAOYSA-N
MW346.58 g/mol
LogP3.80
Rot. Bonds3

About [6-(3-bromo-2-chlorophenyl)-5-fluoro-2-methoxy-3-pyridinyl]methanol

[6-(3-bromo-2-chlorophenyl)-5-fluoro-2-methoxy-3-pyridinyl]methanol (PubChem CID 156822358) has the molecular formula C13H10BrClFNO2 and a molecular weight of 346.58 g/mol. Its IUPAC name is [6-(3-bromo-2-chlorophenyl)-5-fluoro-2-methoxy-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(3-bromo-2-chlorophenyl)-5-fluoro-2-methoxy-3-pyridinyl]methanol
PubChem CID156822358
Molecular FormulaC13H10BrClFNO2
Molecular Weight346.58 g/mol
Exact Mass344.96
IUPAC Name[6-(3-bromo-2-chlorophenyl)-5-fluoro-2-methoxy-3-pyridinyl]methanol
SMILESCOc1nc(-c2cccc(Br)c2Cl)c(F)cc1CO
InChIInChI=1S/C13H10BrClFNO2/c1-19-13-7(6-18)5-10(16)12(17-13)8-3-2-4-9(14)11(8)15/h2-5,18H,6H2,1H3
InChIKeyDYGFDNDEAGEYSW-UHFFFAOYSA-N
XLogP3.80
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.58
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(3-bromo-2-chlorophenyl)-5-fluoro-2-methoxy-3-pyridinyl]methanol?
The IUPAC name of [6-(3-bromo-2-chlorophenyl)-5-fluoro-2-methoxy-3-pyridinyl]methanol (CID 156822358) is [6-(3-bromo-2-chlorophenyl)-5-fluoro-2-methoxy-3-pyridinyl]methanol.
What is the SMILES notation for [6-(3-bromo-2-chlorophenyl)-5-fluoro-2-methoxy-3-pyridinyl]methanol?
The canonical SMILES for [6-(3-bromo-2-chlorophenyl)-5-fluoro-2-methoxy-3-pyridinyl]methanol is COc1nc(-c2cccc(Br)c2Cl)c(F)cc1CO.
What is the InChIKey of [6-(3-bromo-2-chlorophenyl)-5-fluoro-2-methoxy-3-pyridinyl]methanol?
The InChIKey is DYGFDNDEAGEYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFNO2/c1-19-13-7(6-18)5-10(16)12(17-13)8-3-2-4-9(14)11(8)15/h2-5,18H,6H2,1H3.
What are the key properties of [6-(3-bromo-2-chlorophenyl)-5-fluoro-2-methoxy-3-pyridinyl]methanol?
[6-(3-bromo-2-chlorophenyl)-5-fluoro-2-methoxy-3-pyridinyl]methanol has a molecular weight of 346.58 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-bromo-2-chlorophenyl)-5-fluoro-2-methoxy-3-pyridinyl]methanol is sourced from PubChem (CID 156822358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).