(3-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methanol

C12H10BrFN2O2 — CID 114020210

IUPAC(3-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methanol
SMILESCOc1nccnc1C(O)c1cccc(Br)c1F
InChIInChI=1S/C12H10BrFN2O2/c1-18-12-10(15-5-6-16-12)11(17)7-3-2-4-8(13)9(7)14/h2-6,11,17H,1H3
InChIKeyMEDKSTZUNCNKTP-UHFFFAOYSA-N
MW313.13 g/mol
LogP2.47
Rot. Bonds3

About (3-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methanol

(3-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methanol (PubChem CID 114020210) has the molecular formula C12H10BrFN2O2 and a molecular weight of 313.13 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methanol.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methanol
PubChem CID114020210
Molecular FormulaC12H10BrFN2O2
Molecular Weight313.13 g/mol
Exact Mass311.99
IUPAC Name(3-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methanol
SMILESCOc1nccnc1C(O)c1cccc(Br)c1F
InChIInChI=1S/C12H10BrFN2O2/c1-18-12-10(15-5-6-16-12)11(17)7-3-2-4-8(13)9(7)14/h2-6,11,17H,1H3
InChIKeyMEDKSTZUNCNKTP-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromo-4-methylphenyl)-(3-methoxypyrazin-2-yl)methanol
CID 113421466
[4-bromo-2-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol
CID 104515101
(3-bromo-2-fluorophenyl)-pyridin-2-ylmethanol
CID 86730391
(R)-(3-bromo-2-fluorophenyl)-pyridin-2-ylmethanol
CID 129410436
(3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 106648481
(2,3-difluorophenyl)-(3-methoxypyrazin-2-yl)methanamine
CID 105032053
(3-bromo-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol
CID 106648491
(3-bromo-2-fluorophenyl)-(3-methoxy-2-pyridinyl)methanamine
CID 114054772
(3-bromo-2-fluorophenyl)-(4-fluoro-2-methoxyphenyl)methanol
CID 86730397
N-[(3-bromo-2-fluorophenyl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 106648080
(2,5-dimethylphenyl)-(3-methoxypyrazin-2-yl)methanol
CID 104514541
(3-bromo-2-fluorophenyl)-(1,3-thiazol-2-yl)methanol
CID 86730392

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methanol?
The IUPAC name of (3-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methanol (CID 114020210) is (3-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methanol.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methanol?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methanol is COc1nccnc1C(O)c1cccc(Br)c1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methanol?
The InChIKey is MEDKSTZUNCNKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O2/c1-18-12-10(15-5-6-16-12)11(17)7-3-2-4-8(13)9(7)14/h2-6,11,17H,1H3.
What are the key properties of (3-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methanol?
(3-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methanol has a molecular weight of 313.13 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methanol is sourced from PubChem (CID 114020210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).