(5-bromo-2-methylfuran-3-yl)-(1H-pyrrol-2-yl)methanol

C10H10BrNO2 — CID 131124490

IUPAC(5-bromo-2-methylfuran-3-yl)-(1H-pyrrol-2-yl)methanol
SMILESCc1oc(Br)cc1C(O)c1ccc[nH]1
InChIInChI=1S/C10H10BrNO2/c1-6-7(5-9(11)14-6)10(13)8-3-2-4-12-8/h2-5,10,12-13H,1H3
InChIKeyLZCROHPXEZBROO-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.76
Rot. Bonds2

About (5-bromo-2-methylfuran-3-yl)-(1H-pyrrol-2-yl)methanol

(5-bromo-2-methylfuran-3-yl)-(1H-pyrrol-2-yl)methanol (PubChem CID 131124490) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is (5-bromo-2-methylfuran-3-yl)-(1H-pyrrol-2-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-methylfuran-3-yl)-(1H-pyrrol-2-yl)methanol
PubChem CID131124490
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name(5-bromo-2-methylfuran-3-yl)-(1H-pyrrol-2-yl)methanol
SMILESCc1oc(Br)cc1C(O)c1ccc[nH]1
InChIInChI=1S/C10H10BrNO2/c1-6-7(5-9(11)14-6)10(13)8-3-2-4-12-8/h2-5,10,12-13H,1H3
InChIKeyLZCROHPXEZBROO-UHFFFAOYSA-N
XLogP2.76
TPSA49.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylfuran-3-yl)-(1H-pyrrol-2-yl)methanol?
The IUPAC name of (5-bromo-2-methylfuran-3-yl)-(1H-pyrrol-2-yl)methanol (CID 131124490) is (5-bromo-2-methylfuran-3-yl)-(1H-pyrrol-2-yl)methanol.
What is the SMILES notation for (5-bromo-2-methylfuran-3-yl)-(1H-pyrrol-2-yl)methanol?
The canonical SMILES for (5-bromo-2-methylfuran-3-yl)-(1H-pyrrol-2-yl)methanol is Cc1oc(Br)cc1C(O)c1ccc[nH]1.
What is the InChIKey of (5-bromo-2-methylfuran-3-yl)-(1H-pyrrol-2-yl)methanol?
The InChIKey is LZCROHPXEZBROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c1-6-7(5-9(11)14-6)10(13)8-3-2-4-12-8/h2-5,10,12-13H,1H3.
What are the key properties of (5-bromo-2-methylfuran-3-yl)-(1H-pyrrol-2-yl)methanol?
(5-bromo-2-methylfuran-3-yl)-(1H-pyrrol-2-yl)methanol has a molecular weight of 256.10 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylfuran-3-yl)-(1H-pyrrol-2-yl)methanol is sourced from PubChem (CID 131124490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).