[3-bromo-5-fluoro-4-(5-methylpyrazin-2-yl)oxyphenyl]methanol

C12H10BrFN2O2 — CID 118679538

IUPAC[3-bromo-5-fluoro-4-(5-methylpyrazin-2-yl)oxyphenyl]methanol
SMILESCc1cnc(Oc2c(F)cc(CO)cc2Br)cn1
InChIInChI=1S/C12H10BrFN2O2/c1-7-4-16-11(5-15-7)18-12-9(13)2-8(6-17)3-10(12)14/h2-5,17H,6H2,1H3
InChIKeyNVTXZQUVGLCUAX-UHFFFAOYSA-N
MW313.13 g/mol
LogP2.97
Rot. Bonds3

About [3-bromo-5-fluoro-4-(5-methylpyrazin-2-yl)oxyphenyl]methanol

[3-bromo-5-fluoro-4-(5-methylpyrazin-2-yl)oxyphenyl]methanol (PubChem CID 118679538) has the molecular formula C12H10BrFN2O2 and a molecular weight of 313.13 g/mol. Its IUPAC name is [3-bromo-5-fluoro-4-(5-methylpyrazin-2-yl)oxyphenyl]methanol.

Molecular Properties

Compound Name[3-bromo-5-fluoro-4-(5-methylpyrazin-2-yl)oxyphenyl]methanol
PubChem CID118679538
Molecular FormulaC12H10BrFN2O2
Molecular Weight313.13 g/mol
Exact Mass311.99
IUPAC Name[3-bromo-5-fluoro-4-(5-methylpyrazin-2-yl)oxyphenyl]methanol
SMILESCc1cnc(Oc2c(F)cc(CO)cc2Br)cn1
InChIInChI=1S/C12H10BrFN2O2/c1-7-4-16-11(5-15-7)18-12-9(13)2-8(6-17)3-10(12)14/h2-5,17H,6H2,1H3
InChIKeyNVTXZQUVGLCUAX-UHFFFAOYSA-N
XLogP2.97
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.13
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-bromo-5-fluoro-4-(5-methylpyrazin-2-yl)oxyphenyl]methanol?
The IUPAC name of [3-bromo-5-fluoro-4-(5-methylpyrazin-2-yl)oxyphenyl]methanol (CID 118679538) is [3-bromo-5-fluoro-4-(5-methylpyrazin-2-yl)oxyphenyl]methanol.
What is the SMILES notation for [3-bromo-5-fluoro-4-(5-methylpyrazin-2-yl)oxyphenyl]methanol?
The canonical SMILES for [3-bromo-5-fluoro-4-(5-methylpyrazin-2-yl)oxyphenyl]methanol is Cc1cnc(Oc2c(F)cc(CO)cc2Br)cn1.
What is the InChIKey of [3-bromo-5-fluoro-4-(5-methylpyrazin-2-yl)oxyphenyl]methanol?
The InChIKey is NVTXZQUVGLCUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O2/c1-7-4-16-11(5-15-7)18-12-9(13)2-8(6-17)3-10(12)14/h2-5,17H,6H2,1H3.
What are the key properties of [3-bromo-5-fluoro-4-(5-methylpyrazin-2-yl)oxyphenyl]methanol?
[3-bromo-5-fluoro-4-(5-methylpyrazin-2-yl)oxyphenyl]methanol has a molecular weight of 313.13 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-5-fluoro-4-(5-methylpyrazin-2-yl)oxyphenyl]methanol is sourced from PubChem (CID 118679538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).