(4-bromophenyl)-(6-methoxy-1-benzofuran-2-yl)-pyridin-3-ylmethanol

C21H16BrNO3 — CID 171342463

IUPAC(4-bromophenyl)-(6-methoxy-1-benzofuran-2-yl)-pyridin-3-ylmethanol
SMILESCOc1ccc2cc(C(O)(c3ccc(Br)cc3)c3cccnc3)oc2c1
InChIInChI=1S/C21H16BrNO3/c1-25-18-9-4-14-11-20(26-19(14)12-18)21(24,16-3-2-10-23-13-16)15-5-7-17(22)8-6-15/h2-13,24H,1H3
InChIKeyPBSDLWUPWJZXSR-UHFFFAOYSA-N
MW410.27 g/mol
LogP4.88
Rot. Bonds4

About (4-bromophenyl)-(6-methoxy-1-benzofuran-2-yl)-pyridin-3-ylmethanol

(4-bromophenyl)-(6-methoxy-1-benzofuran-2-yl)-pyridin-3-ylmethanol (PubChem CID 171342463) has the molecular formula C21H16BrNO3 and a molecular weight of 410.27 g/mol. Its IUPAC name is (4-bromophenyl)-(6-methoxy-1-benzofuran-2-yl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(4-bromophenyl)-(6-methoxy-1-benzofuran-2-yl)-pyridin-3-ylmethanol
PubChem CID171342463
Molecular FormulaC21H16BrNO3
Molecular Weight410.27 g/mol
Exact Mass409.03
IUPAC Name(4-bromophenyl)-(6-methoxy-1-benzofuran-2-yl)-pyridin-3-ylmethanol
SMILESCOc1ccc2cc(C(O)(c3ccc(Br)cc3)c3cccnc3)oc2c1
InChIInChI=1S/C21H16BrNO3/c1-25-18-9-4-14-11-20(26-19(14)12-18)21(24,16-3-2-10-23-13-16)15-5-7-17(22)8-6-15/h2-13,24H,1H3
InChIKeyPBSDLWUPWJZXSR-UHFFFAOYSA-N
XLogP4.88
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.27
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(6-methoxy-1-benzofuran-2-yl)-pyridin-3-ylmethanol?
The IUPAC name of (4-bromophenyl)-(6-methoxy-1-benzofuran-2-yl)-pyridin-3-ylmethanol (CID 171342463) is (4-bromophenyl)-(6-methoxy-1-benzofuran-2-yl)-pyridin-3-ylmethanol.
What is the SMILES notation for (4-bromophenyl)-(6-methoxy-1-benzofuran-2-yl)-pyridin-3-ylmethanol?
The canonical SMILES for (4-bromophenyl)-(6-methoxy-1-benzofuran-2-yl)-pyridin-3-ylmethanol is COc1ccc2cc(C(O)(c3ccc(Br)cc3)c3cccnc3)oc2c1.
What is the InChIKey of (4-bromophenyl)-(6-methoxy-1-benzofuran-2-yl)-pyridin-3-ylmethanol?
The InChIKey is PBSDLWUPWJZXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrNO3/c1-25-18-9-4-14-11-20(26-19(14)12-18)21(24,16-3-2-10-23-13-16)15-5-7-17(22)8-6-15/h2-13,24H,1H3.
What are the key properties of (4-bromophenyl)-(6-methoxy-1-benzofuran-2-yl)-pyridin-3-ylmethanol?
(4-bromophenyl)-(6-methoxy-1-benzofuran-2-yl)-pyridin-3-ylmethanol has a molecular weight of 410.27 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(6-methoxy-1-benzofuran-2-yl)-pyridin-3-ylmethanol is sourced from PubChem (CID 171342463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).