(2-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanol

C11H8BrFN2O — CID 115781566

IUPAC(2-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanol
SMILESOC(c1cncnc1)c1cccc(F)c1Br
InChIInChI=1S/C11H8BrFN2O/c12-10-8(2-1-3-9(10)13)11(16)7-4-14-6-15-5-7/h1-6,11,16H
InChIKeyLKDFSVMUFUSPHO-UHFFFAOYSA-N
MW283.10 g/mol
LogP2.46
Rot. Bonds2

About (2-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanol

(2-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanol (PubChem CID 115781566) has the molecular formula C11H8BrFN2O and a molecular weight of 283.10 g/mol. Its IUPAC name is (2-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanol.

Molecular Properties

Compound Name(2-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanol
PubChem CID115781566
Molecular FormulaC11H8BrFN2O
Molecular Weight283.10 g/mol
Exact Mass281.98
IUPAC Name(2-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanol
SMILESOC(c1cncnc1)c1cccc(F)c1Br
InChIInChI=1S/C11H8BrFN2O/c12-10-8(2-1-3-9(10)13)11(16)7-4-14-6-15-5-7/h1-6,11,16H
InChIKeyLKDFSVMUFUSPHO-UHFFFAOYSA-N
XLogP2.46
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.10
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 115829386
(2-fluoro-3-methylphenyl)-pyrimidin-5-ylmethanol
CID 115781644
(3-bromo-2-methylphenyl)-pyrimidin-5-ylmethanol
CID 115781608
2-(2-bromo-3-fluorophenyl)-1-pyrimidin-5-ylethanol
CID 102924092
(2-bromo-3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 81499833
(2,4-difluorophenyl)-pyrimidin-5-ylmethanol
CID 63084368
(2-bromo-3-fluorophenyl)-quinolin-7-ylmethanol
CID 115827043
(2-bromo-3-fluorophenyl)-(3,4-diethylphenyl)methanol
CID 115482749
(2-bromo-3-fluorophenyl)-(2,3-dimethylimidazol-4-yl)methanol
CID 114283580
(2-chloro-3-fluorophenyl)-(5-fluoro-3-pyridinyl)methanol
CID 114981130
1-(2-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-ol
CID 115796476
(2-bromo-3-fluorophenyl)-(3-propyltriazol-4-yl)methanol
CID 115834049

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanol?
The IUPAC name of (2-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanol (CID 115781566) is (2-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanol.
What is the SMILES notation for (2-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanol?
The canonical SMILES for (2-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanol is OC(c1cncnc1)c1cccc(F)c1Br.
What is the InChIKey of (2-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanol?
The InChIKey is LKDFSVMUFUSPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O/c12-10-8(2-1-3-9(10)13)11(16)7-4-14-6-15-5-7/h1-6,11,16H.
What are the key properties of (2-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanol?
(2-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanol has a molecular weight of 283.10 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanol is sourced from PubChem (CID 115781566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).