2-[4-(4-bromophenyl)pyrimidin-2-yl]ethanol

C12H11BrN2O — CID 116899542

IUPAC2-[4-(4-bromophenyl)pyrimidin-2-yl]ethanol
SMILESOCCc1nccc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C12H11BrN2O/c13-10-3-1-9(2-4-10)11-5-7-14-12(15-11)6-8-16/h1-5,7,16H,6,8H2
InChIKeyJRCDELAOXCPOQV-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.44
Rot. Bonds3

About 2-[4-(4-bromophenyl)pyrimidin-2-yl]ethanol

2-[4-(4-bromophenyl)pyrimidin-2-yl]ethanol (PubChem CID 116899542) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)pyrimidin-2-yl]ethanol
PubChem CID116899542
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name2-[4-(4-bromophenyl)pyrimidin-2-yl]ethanol
SMILESOCCc1nccc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C12H11BrN2O/c13-10-3-1-9(2-4-10)11-5-7-14-12(15-11)6-8-16/h1-5,7,16H,6,8H2
InChIKeyJRCDELAOXCPOQV-UHFFFAOYSA-N
XLogP2.44
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)pyrimidin-2-yl]ethanol?
The IUPAC name of 2-[4-(4-bromophenyl)pyrimidin-2-yl]ethanol (CID 116899542) is 2-[4-(4-bromophenyl)pyrimidin-2-yl]ethanol.
What is the SMILES notation for 2-[4-(4-bromophenyl)pyrimidin-2-yl]ethanol?
The canonical SMILES for 2-[4-(4-bromophenyl)pyrimidin-2-yl]ethanol is OCCc1nccc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 2-[4-(4-bromophenyl)pyrimidin-2-yl]ethanol?
The InChIKey is JRCDELAOXCPOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c13-10-3-1-9(2-4-10)11-5-7-14-12(15-11)6-8-16/h1-5,7,16H,6,8H2.
What are the key properties of 2-[4-(4-bromophenyl)pyrimidin-2-yl]ethanol?
2-[4-(4-bromophenyl)pyrimidin-2-yl]ethanol has a molecular weight of 279.14 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)pyrimidin-2-yl]ethanol is sourced from PubChem (CID 116899542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).