(4-bromo-3-chlorophenyl)-pyrazin-2-ylmethanol

C11H8BrClN2O — CID 115800192

IUPAC(4-bromo-3-chlorophenyl)-pyrazin-2-ylmethanol
SMILESOC(c1ccc(Br)c(Cl)c1)c1cnccn1
InChIInChI=1S/C11H8BrClN2O/c12-8-2-1-7(5-9(8)13)11(16)10-6-14-3-4-15-10/h1-6,11,16H
InChIKeyZUXZDFVNZSITRS-UHFFFAOYSA-N
MW299.56 g/mol
LogP2.97
Rot. Bonds2

About (4-bromo-3-chlorophenyl)-pyrazin-2-ylmethanol

(4-bromo-3-chlorophenyl)-pyrazin-2-ylmethanol (PubChem CID 115800192) has the molecular formula C11H8BrClN2O and a molecular weight of 299.56 g/mol. Its IUPAC name is (4-bromo-3-chlorophenyl)-pyrazin-2-ylmethanol.

Molecular Properties

Compound Name(4-bromo-3-chlorophenyl)-pyrazin-2-ylmethanol
PubChem CID115800192
Molecular FormulaC11H8BrClN2O
Molecular Weight299.56 g/mol
Exact Mass297.95
IUPAC Name(4-bromo-3-chlorophenyl)-pyrazin-2-ylmethanol
SMILESOC(c1ccc(Br)c(Cl)c1)c1cnccn1
InChIInChI=1S/C11H8BrClN2O/c12-8-2-1-7(5-9(8)13)11(16)10-6-14-3-4-15-10/h1-6,11,16H
InChIKeyZUXZDFVNZSITRS-UHFFFAOYSA-N
XLogP2.97
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.56
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromophenyl)-pyrazin-2-ylmethanol
CID 63970462
(4-bromo-3-chlorophenyl)-(6-methyl-3-pyridinyl)methanol
CID 115796759
(3-aminophenyl)-pyrazin-2-ylmethanol
CID 106695903
(2,4-dichlorophenyl)-pyrazin-2-ylmethanol
CID 63970677
pyrazin-2-yl(quinolin-6-yl)methanol
CID 63969432
(4-methoxy-3-methylphenyl)-pyrazin-2-ylmethanol
CID 63969426
(4-bromo-3-chlorophenyl)-(3-chloro-4-methylphenyl)methanol
CID 107562230
(3,5-dichloro-2-pyridinyl)-pyrazin-2-ylmethanol
CID 79779870
(2-chloro-4-methylphenyl)-pyrazin-2-ylmethanol
CID 106859248
(4-bromo-3-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 81293215
(4-cyclopropylphenyl)-pyrazin-2-ylmethanol
CID 79980418
1-(4-bromo-3-chlorophenyl)-2-(5-bromo-3-pyridinyl)ethanol
CID 115833417

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chlorophenyl)-pyrazin-2-ylmethanol?
The IUPAC name of (4-bromo-3-chlorophenyl)-pyrazin-2-ylmethanol (CID 115800192) is (4-bromo-3-chlorophenyl)-pyrazin-2-ylmethanol.
What is the SMILES notation for (4-bromo-3-chlorophenyl)-pyrazin-2-ylmethanol?
The canonical SMILES for (4-bromo-3-chlorophenyl)-pyrazin-2-ylmethanol is OC(c1ccc(Br)c(Cl)c1)c1cnccn1.
What is the InChIKey of (4-bromo-3-chlorophenyl)-pyrazin-2-ylmethanol?
The InChIKey is ZUXZDFVNZSITRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2O/c12-8-2-1-7(5-9(8)13)11(16)10-6-14-3-4-15-10/h1-6,11,16H.
What are the key properties of (4-bromo-3-chlorophenyl)-pyrazin-2-ylmethanol?
(4-bromo-3-chlorophenyl)-pyrazin-2-ylmethanol has a molecular weight of 299.56 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chlorophenyl)-pyrazin-2-ylmethanol is sourced from PubChem (CID 115800192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).