(3-bromofuran-2-yl)-(3,5-dimethoxypyrazin-2-yl)methanol

C11H11BrN2O4 — CID 106886347

IUPAC(3-bromofuran-2-yl)-(3,5-dimethoxypyrazin-2-yl)methanol
SMILESCOc1cnc(C(O)c2occc2Br)c(OC)n1
InChIInChI=1S/C11H11BrN2O4/c1-16-7-5-13-8(11(14-7)17-2)9(15)10-6(12)3-4-18-10/h3-5,9,15H,1-2H3
InChIKeyNFUXWXACZMRDDA-UHFFFAOYSA-N
MW315.12 g/mol
LogP1.93
Rot. Bonds4

About (3-bromofuran-2-yl)-(3,5-dimethoxypyrazin-2-yl)methanol

(3-bromofuran-2-yl)-(3,5-dimethoxypyrazin-2-yl)methanol (PubChem CID 106886347) has the molecular formula C11H11BrN2O4 and a molecular weight of 315.12 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(3,5-dimethoxypyrazin-2-yl)methanol.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(3,5-dimethoxypyrazin-2-yl)methanol
PubChem CID106886347
Molecular FormulaC11H11BrN2O4
Molecular Weight315.12 g/mol
Exact Mass313.99
IUPAC Name(3-bromofuran-2-yl)-(3,5-dimethoxypyrazin-2-yl)methanol
SMILESCOc1cnc(C(O)c2occc2Br)c(OC)n1
InChIInChI=1S/C11H11BrN2O4/c1-16-7-5-13-8(11(14-7)17-2)9(15)10-6(12)3-4-18-10/h3-5,9,15H,1-2H3
InChIKeyNFUXWXACZMRDDA-UHFFFAOYSA-N
XLogP1.93
TPSA77.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.12
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3,5-dimethoxypyrazin-2-yl)-(1,3-thiazol-4-yl)methanol
CID 113404120
(3,5-dimethoxypyrazin-2-yl)-(2,6-dimethyl-4-pyridinyl)methanol
CID 107502705
1-(3,5-dimethoxypyrazin-2-yl)-3-ethylpentane-1,2-diol
CID 103459914
(3,5-dimethoxypyrazin-2-yl)-(1-methylimidazol-4-yl)methanol
CID 107978634
(5-chloro-2-fluorophenyl)-(3,5-dimethoxypyrazin-2-yl)methanol
CID 114853257
(3-bromofuran-2-yl)-(6-methyl-3-pyridinyl)methanol
CID 104823083
1-(3,5-dimethoxypyrazin-2-yl)-2-methoxy-3-methylbutan-1-ol
CID 116711920
(2-bromo-4,5-dimethoxyphenyl)-(3-bromofuran-2-yl)methanol
CID 63941832
1-(3,5-dimethoxypyrazin-2-yl)-2,3,3-trimethylbutan-1-ol
CID 114270663
(3,5-dimethoxypyrazin-2-yl)-(1-methyltriazol-4-yl)methanol
CID 112735965
[(3,5-dimethoxypyrazin-2-yl)-(furan-3-yl)methyl]hydrazine
CID 105332203
(3,5-dimethoxypyrazin-2-yl)-(5-fluoro-3-pyridinyl)methanol
CID 105123520

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(3,5-dimethoxypyrazin-2-yl)methanol?
The IUPAC name of (3-bromofuran-2-yl)-(3,5-dimethoxypyrazin-2-yl)methanol (CID 106886347) is (3-bromofuran-2-yl)-(3,5-dimethoxypyrazin-2-yl)methanol.
What is the SMILES notation for (3-bromofuran-2-yl)-(3,5-dimethoxypyrazin-2-yl)methanol?
The canonical SMILES for (3-bromofuran-2-yl)-(3,5-dimethoxypyrazin-2-yl)methanol is COc1cnc(C(O)c2occc2Br)c(OC)n1.
What is the InChIKey of (3-bromofuran-2-yl)-(3,5-dimethoxypyrazin-2-yl)methanol?
The InChIKey is NFUXWXACZMRDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O4/c1-16-7-5-13-8(11(14-7)17-2)9(15)10-6(12)3-4-18-10/h3-5,9,15H,1-2H3.
What are the key properties of (3-bromofuran-2-yl)-(3,5-dimethoxypyrazin-2-yl)methanol?
(3-bromofuran-2-yl)-(3,5-dimethoxypyrazin-2-yl)methanol has a molecular weight of 315.12 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(3,5-dimethoxypyrazin-2-yl)methanol is sourced from PubChem (CID 106886347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).