(5-bromo-2-chlorophenyl)-pyrimidin-5-ylmethanol

C11H8BrClN2O — CID 115781626

IUPAC(5-bromo-2-chlorophenyl)-pyrimidin-5-ylmethanol
SMILESOC(c1cncnc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C11H8BrClN2O/c12-8-1-2-10(13)9(3-8)11(16)7-4-14-6-15-5-7/h1-6,11,16H
InChIKeyLORTXBXGLULLQI-UHFFFAOYSA-N
MW299.56 g/mol
LogP2.97
Rot. Bonds2

About (5-bromo-2-chlorophenyl)-pyrimidin-5-ylmethanol

(5-bromo-2-chlorophenyl)-pyrimidin-5-ylmethanol (PubChem CID 115781626) has the molecular formula C11H8BrClN2O and a molecular weight of 299.56 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-pyrimidin-5-ylmethanol.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-pyrimidin-5-ylmethanol
PubChem CID115781626
Molecular FormulaC11H8BrClN2O
Molecular Weight299.56 g/mol
Exact Mass297.95
IUPAC Name(5-bromo-2-chlorophenyl)-pyrimidin-5-ylmethanol
SMILESOC(c1cncnc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C11H8BrClN2O/c12-8-1-2-10(13)9(3-8)11(16)7-4-14-6-15-5-7/h1-6,11,16H
InChIKeyLORTXBXGLULLQI-UHFFFAOYSA-N
XLogP2.97
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.56
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-chlorophenyl)-(5-methyl-3-pyridinyl)methanol
CID 115827983
1-(5-bromo-2-chlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 115827656
(5-bromo-2-methoxyphenyl)-pyrimidin-5-ylmethanol
CID 63893821
(5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanol
CID 61100202
(5-bromo-2-chlorophenyl)-(1H-pyrrol-3-yl)methanol
CID 63747683
(4-chloro-3-methylphenyl)-pyrimidin-5-ylmethanol
CID 115781666
(2,5-dibromophenyl)-(3,4-dichlorophenyl)methanol
CID 63426086
(5-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanol
CID 115794956
(5-bromo-2-chlorophenyl)-(2,4,5-trimethylphenyl)methanol
CID 115807083
(5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 61100484
(5-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61082254
(5-bromo-2-chlorophenyl)-(2,4,6-trifluorophenyl)methanol
CID 61087673

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-pyrimidin-5-ylmethanol?
The IUPAC name of (5-bromo-2-chlorophenyl)-pyrimidin-5-ylmethanol (CID 115781626) is (5-bromo-2-chlorophenyl)-pyrimidin-5-ylmethanol.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-pyrimidin-5-ylmethanol?
The canonical SMILES for (5-bromo-2-chlorophenyl)-pyrimidin-5-ylmethanol is OC(c1cncnc1)c1cc(Br)ccc1Cl.
What is the InChIKey of (5-bromo-2-chlorophenyl)-pyrimidin-5-ylmethanol?
The InChIKey is LORTXBXGLULLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2O/c12-8-1-2-10(13)9(3-8)11(16)7-4-14-6-15-5-7/h1-6,11,16H.
What are the key properties of (5-bromo-2-chlorophenyl)-pyrimidin-5-ylmethanol?
(5-bromo-2-chlorophenyl)-pyrimidin-5-ylmethanol has a molecular weight of 299.56 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-pyrimidin-5-ylmethanol is sourced from PubChem (CID 115781626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).