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

C16H11BrClNOS — CID 66607325

IUPAC(5-bromo-2-chlorophenyl)-(5-pyridin-2-ylthiophen-2-yl)methanol
SMILESOC(c1ccc(-c2ccccn2)s1)c1cc(Br)ccc1Cl
InChIInChI=1S/C16H11BrClNOS/c17-10-4-5-12(18)11(9-10)16(20)15-7-6-14(21-15)13-3-1-2-8-19-13/h1-9,16,20H
InChIKeyGXUDDKAWUDQRDR-UHFFFAOYSA-N
MW380.69 g/mol
LogP5.31
Rot. Bonds3

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

(5-bromo-2-chlorophenyl)-(5-pyridin-2-ylthiophen-2-yl)methanol (PubChem CID 66607325) has the molecular formula C16H11BrClNOS and a molecular weight of 380.69 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(5-pyridin-2-ylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(5-pyridin-2-ylthiophen-2-yl)methanol
PubChem CID66607325
Molecular FormulaC16H11BrClNOS
Molecular Weight380.69 g/mol
Exact Mass378.94
IUPAC Name(5-bromo-2-chlorophenyl)-(5-pyridin-2-ylthiophen-2-yl)methanol
SMILESOC(c1ccc(-c2ccccn2)s1)c1cc(Br)ccc1Cl
InChIInChI=1S/C16H11BrClNOS/c17-10-4-5-12(18)11(9-10)16(20)15-7-6-14(21-15)13-3-1-2-8-19-13/h1-9,16,20H
InChIKeyGXUDDKAWUDQRDR-UHFFFAOYSA-N
XLogP5.31
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.69
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-methylphenyl)-(5-pyridin-2-ylthiophen-2-yl)methanol
CID 66608181
(5-bromo-2-chlorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol
CID 102764402
(5-bromo-2-chlorophenyl)-(2-methylphenyl)methanol
CID 114979219
(5-bromo-2-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 63426559
2-(4-chloro-5-methylthiophen-2-yl)pyridine
CID 174439446
2-[5-[5-(5-pyridin-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]pyridine
CID 102384658
dichloroiron;2-(5-pyridin-2-ylthiophen-2-yl)pyridine
CID 22968583
(5-bromo-2-chlorophenyl)-pyrimidin-5-ylmethanol
CID 115781626
(5-bromo-2-chlorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 80530430
(5-bromo-2-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 115796079
(5-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanol
CID 115794956
2-bromo-5-[(5-bromo-2-chlorophenyl)-chloromethyl]thiophene
CID 63435018

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(5-pyridin-2-ylthiophen-2-yl)methanol?
The IUPAC name of (5-bromo-2-chlorophenyl)-(5-pyridin-2-ylthiophen-2-yl)methanol (CID 66607325) is (5-bromo-2-chlorophenyl)-(5-pyridin-2-ylthiophen-2-yl)methanol.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(5-pyridin-2-ylthiophen-2-yl)methanol?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(5-pyridin-2-ylthiophen-2-yl)methanol is OC(c1ccc(-c2ccccn2)s1)c1cc(Br)ccc1Cl.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(5-pyridin-2-ylthiophen-2-yl)methanol?
The InChIKey is GXUDDKAWUDQRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClNOS/c17-10-4-5-12(18)11(9-10)16(20)15-7-6-14(21-15)13-3-1-2-8-19-13/h1-9,16,20H.
What are the key properties of (5-bromo-2-chlorophenyl)-(5-pyridin-2-ylthiophen-2-yl)methanol?
(5-bromo-2-chlorophenyl)-(5-pyridin-2-ylthiophen-2-yl)methanol has a molecular weight of 380.69 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-(5-pyridin-2-ylthiophen-2-yl)methanol is sourced from PubChem (CID 66607325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).