(2-fluoro-3-methylphenyl)-pyrimidin-5-ylmethanol

C12H11FN2O — CID 115781644

IUPAC(2-fluoro-3-methylphenyl)-pyrimidin-5-ylmethanol
SMILESCc1cccc(C(O)c2cncnc2)c1F
InChIInChI=1S/C12H11FN2O/c1-8-3-2-4-10(11(8)13)12(16)9-5-14-7-15-6-9/h2-7,12,16H,1H3
InChIKeyHHFRLFLNKZDOCP-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.01
Rot. Bonds2

About (2-fluoro-3-methylphenyl)-pyrimidin-5-ylmethanol

(2-fluoro-3-methylphenyl)-pyrimidin-5-ylmethanol (PubChem CID 115781644) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is (2-fluoro-3-methylphenyl)-pyrimidin-5-ylmethanol.

Molecular Properties

Compound Name(2-fluoro-3-methylphenyl)-pyrimidin-5-ylmethanol
PubChem CID115781644
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name(2-fluoro-3-methylphenyl)-pyrimidin-5-ylmethanol
SMILESCc1cccc(C(O)c2cncnc2)c1F
InChIInChI=1S/C12H11FN2O/c1-8-3-2-4-10(11(8)13)12(16)9-5-14-7-15-6-9/h2-7,12,16H,1H3
InChIKeyHHFRLFLNKZDOCP-UHFFFAOYSA-N
XLogP2.01
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanol
CID 115781566
(3-bromo-2-methylphenyl)-pyrimidin-5-ylmethanol
CID 115781608
(4-chlorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 81477274
(2-fluoro-3-methylphenyl)-(3-fluorophenyl)methanol
CID 114978614
(3,4-difluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 81477927
(2-fluoro-3-methylphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 115823134
(3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 106648481
(3-fluoro-4-methylphenyl)-pyrimidin-5-ylmethanol
CID 62490525
(4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol
CID 81477516
(2-fluoro-3-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol
CID 107288706
(2,4-difluorophenyl)-pyrimidin-5-ylmethanol
CID 63084368
(2-fluoro-3-methylphenyl)-thiophen-2-ylmethanol
CID 81477693

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methylphenyl)-pyrimidin-5-ylmethanol?
The IUPAC name of (2-fluoro-3-methylphenyl)-pyrimidin-5-ylmethanol (CID 115781644) is (2-fluoro-3-methylphenyl)-pyrimidin-5-ylmethanol.
What is the SMILES notation for (2-fluoro-3-methylphenyl)-pyrimidin-5-ylmethanol?
The canonical SMILES for (2-fluoro-3-methylphenyl)-pyrimidin-5-ylmethanol is Cc1cccc(C(O)c2cncnc2)c1F.
What is the InChIKey of (2-fluoro-3-methylphenyl)-pyrimidin-5-ylmethanol?
The InChIKey is HHFRLFLNKZDOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-8-3-2-4-10(11(8)13)12(16)9-5-14-7-15-6-9/h2-7,12,16H,1H3.
What are the key properties of (2-fluoro-3-methylphenyl)-pyrimidin-5-ylmethanol?
(2-fluoro-3-methylphenyl)-pyrimidin-5-ylmethanol has a molecular weight of 218.23 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methylphenyl)-pyrimidin-5-ylmethanol is sourced from PubChem (CID 115781644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).