(3-bromophenyl)-(3-chloropyrazin-2-yl)methanol

C11H8BrClN2O — CID 57456309

IUPAC(3-bromophenyl)-(3-chloropyrazin-2-yl)methanol
SMILESOC(c1cccc(Br)c1)c1nccnc1Cl
InChIInChI=1S/C11H8BrClN2O/c12-8-3-1-2-7(6-8)10(16)9-11(13)15-5-4-14-9/h1-6,10,16H
InChIKeyIXZMCPHIFFSVNF-UHFFFAOYSA-N
MW299.56 g/mol
LogP2.97
Rot. Bonds2

About (3-bromophenyl)-(3-chloropyrazin-2-yl)methanol

(3-bromophenyl)-(3-chloropyrazin-2-yl)methanol (PubChem CID 57456309) has the molecular formula C11H8BrClN2O and a molecular weight of 299.56 g/mol. Its IUPAC name is (3-bromophenyl)-(3-chloropyrazin-2-yl)methanol.

Molecular Properties

Compound Name(3-bromophenyl)-(3-chloropyrazin-2-yl)methanol
PubChem CID57456309
Molecular FormulaC11H8BrClN2O
Molecular Weight299.56 g/mol
Exact Mass297.95
IUPAC Name(3-bromophenyl)-(3-chloropyrazin-2-yl)methanol
SMILESOC(c1cccc(Br)c1)c1nccnc1Cl
InChIInChI=1S/C11H8BrClN2O/c12-8-3-1-2-7(6-8)10(16)9-11(13)15-5-4-14-9/h1-6,10,16H
InChIKeyIXZMCPHIFFSVNF-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

(3-chloropyrazin-2-yl)-thiophen-2-ylmethanol
CID 119085249
(3-bromophenyl)-(2,5-dichlorothiophen-3-yl)methanol
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(3-bromophenyl)-(2-chloro-5-fluorophenyl)methanol
CID 105393805
(R)-(3-bromophenyl)-(3-chloro-2-methylphenyl)methanol
CID 97293535
(S)-(3-bromophenyl)-(3,5-difluorophenyl)methanol
CID 94601821
(S)-(3-bromophenyl)-(5-chloro-2-methylphenyl)methanol
CID 97293534
(3-bromophenyl)-(2-methylphenyl)methanol
CID 60798541
(3-bromophenyl)-(3-methylsulfanylphenyl)methanol
CID 91657590
(3-bromophenyl)-(4-ethoxyphenyl)methanol
CID 46205463
(S)-(3-bromophenyl)-(4-methoxyphenyl)methanol
CID 93325981
1-(3-bromophenyl)-2-chloro-2,2-difluoroethanol
CID 143865225
(5-bromo-2-ethoxyphenyl)-(3-bromophenyl)methanol
CID 61082247

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(3-chloropyrazin-2-yl)methanol?
The IUPAC name of (3-bromophenyl)-(3-chloropyrazin-2-yl)methanol (CID 57456309) is (3-bromophenyl)-(3-chloropyrazin-2-yl)methanol.
What is the SMILES notation for (3-bromophenyl)-(3-chloropyrazin-2-yl)methanol?
The canonical SMILES for (3-bromophenyl)-(3-chloropyrazin-2-yl)methanol is OC(c1cccc(Br)c1)c1nccnc1Cl.
What is the InChIKey of (3-bromophenyl)-(3-chloropyrazin-2-yl)methanol?
The InChIKey is IXZMCPHIFFSVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2O/c12-8-3-1-2-7(6-8)10(16)9-11(13)15-5-4-14-9/h1-6,10,16H.
What are the key properties of (3-bromophenyl)-(3-chloropyrazin-2-yl)methanol?
(3-bromophenyl)-(3-chloropyrazin-2-yl)methanol 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 (3-bromophenyl)-(3-chloropyrazin-2-yl)methanol is sourced from PubChem (CID 57456309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).