1-[2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol

C13H12ClFN2O — CID 55182363

IUPAC1-[2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol
SMILESCc1nc(-c2ccc(F)c(Cl)c2)ncc1C(C)O
InChIInChI=1S/C13H12ClFN2O/c1-7-10(8(2)18)6-16-13(17-7)9-3-4-12(15)11(14)5-9/h3-6,8,18H,1-2H3
InChIKeyHHOPHECSWRLIQZ-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.30
Rot. Bonds2

About 1-[2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol

1-[2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol (PubChem CID 55182363) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 1-[2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol
PubChem CID55182363
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name1-[2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol
SMILESCc1nc(-c2ccc(F)c(Cl)c2)ncc1C(C)O
InChIInChI=1S/C13H12ClFN2O/c1-7-10(8(2)18)6-16-13(17-7)9-3-4-12(15)11(14)5-9/h3-6,8,18H,1-2H3
InChIKeyHHOPHECSWRLIQZ-UHFFFAOYSA-N
XLogP3.30
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-(4-fluoro-3-methylphenyl)-4-methylpyrimidin-5-yl]ethanol
CID 94587725
(1S)-1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431586
4-[5-[(1S)-1-hydroxyethyl]-4-methylpyrimidin-2-yl]benzene-1,2-diol
CID 136938643
[2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]methanamine
CID 114205926
(1S)-1-[2-(3,4-dimethoxyphenyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431547
3-[5-(1-hydroxyethyl)-4-methylpyrimidin-2-yl]phenol
CID 107922082
(1R)-1-[2-(3,5-dichloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431234
(1S)-1-[2-(2-chlorophenyl)-4-methylpyrimidin-5-yl]ethanol
CID 94587738
(1S)-1-[2-(3-bromo-5-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431635
(1R)-1-[2-(3-bromo-4-methoxyphenyl)-4-methylpyrimidin-5-yl]ethanol
CID 106951244
(1S)-1-[2-(3-bromo-4-methoxyphenyl)-4-methylpyrimidin-5-yl]ethanol
CID 106951245
1-[2-(2-bromo-3,4-difluorophenyl)-4-methylpyrimidin-5-yl]ethanol
CID 107540932

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol?
The IUPAC name of 1-[2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol (CID 55182363) is 1-[2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol.
What is the SMILES notation for 1-[2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol?
The canonical SMILES for 1-[2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol is Cc1nc(-c2ccc(F)c(Cl)c2)ncc1C(C)O.
What is the InChIKey of 1-[2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol?
The InChIKey is HHOPHECSWRLIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-7-10(8(2)18)6-16-13(17-7)9-3-4-12(15)11(14)5-9/h3-6,8,18H,1-2H3.
What are the key properties of 1-[2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol?
1-[2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol has a molecular weight of 266.70 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol is sourced from PubChem (CID 55182363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).