(5-bromo-2-methylphenyl)-(5-pyridin-2-ylthiophen-2-yl)methanol

C17H14BrNOS — CID 66608181

IUPAC(5-bromo-2-methylphenyl)-(5-pyridin-2-ylthiophen-2-yl)methanol
SMILESCc1ccc(Br)cc1C(O)c1ccc(-c2ccccn2)s1
InChIInChI=1S/C17H14BrNOS/c1-11-5-6-12(18)10-13(11)17(20)16-8-7-15(21-16)14-4-2-3-9-19-14/h2-10,17,20H,1H3
InChIKeyXRBVEBGZFUVKIX-UHFFFAOYSA-N
MW360.28 g/mol
LogP4.96
Rot. Bonds3

About (5-bromo-2-methylphenyl)-(5-pyridin-2-ylthiophen-2-yl)methanol

(5-bromo-2-methylphenyl)-(5-pyridin-2-ylthiophen-2-yl)methanol (PubChem CID 66608181) has the molecular formula C17H14BrNOS and a molecular weight of 360.28 g/mol. Its IUPAC name is (5-bromo-2-methylphenyl)-(5-pyridin-2-ylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-methylphenyl)-(5-pyridin-2-ylthiophen-2-yl)methanol
PubChem CID66608181
Molecular FormulaC17H14BrNOS
Molecular Weight360.28 g/mol
Exact Mass359.00
IUPAC Name(5-bromo-2-methylphenyl)-(5-pyridin-2-ylthiophen-2-yl)methanol
SMILESCc1ccc(Br)cc1C(O)c1ccc(-c2ccccn2)s1
InChIInChI=1S/C17H14BrNOS/c1-11-5-6-12(18)10-13(11)17(20)16-8-7-15(21-16)14-4-2-3-9-19-14/h2-10,17,20H,1H3
InChIKeyXRBVEBGZFUVKIX-UHFFFAOYSA-N
XLogP4.96
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.28
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylphenyl)-(5-pyridin-2-ylthiophen-2-yl)methanol?
The IUPAC name of (5-bromo-2-methylphenyl)-(5-pyridin-2-ylthiophen-2-yl)methanol (CID 66608181) is (5-bromo-2-methylphenyl)-(5-pyridin-2-ylthiophen-2-yl)methanol.
What is the SMILES notation for (5-bromo-2-methylphenyl)-(5-pyridin-2-ylthiophen-2-yl)methanol?
The canonical SMILES for (5-bromo-2-methylphenyl)-(5-pyridin-2-ylthiophen-2-yl)methanol is Cc1ccc(Br)cc1C(O)c1ccc(-c2ccccn2)s1.
What is the InChIKey of (5-bromo-2-methylphenyl)-(5-pyridin-2-ylthiophen-2-yl)methanol?
The InChIKey is XRBVEBGZFUVKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNOS/c1-11-5-6-12(18)10-13(11)17(20)16-8-7-15(21-16)14-4-2-3-9-19-14/h2-10,17,20H,1H3.
What are the key properties of (5-bromo-2-methylphenyl)-(5-pyridin-2-ylthiophen-2-yl)methanol?
(5-bromo-2-methylphenyl)-(5-pyridin-2-ylthiophen-2-yl)methanol has a molecular weight of 360.28 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylphenyl)-(5-pyridin-2-ylthiophen-2-yl)methanol is sourced from PubChem (CID 66608181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).