(2-methylpyrimidin-5-yl)methanol;2,2,2-trifluoroacetic acid

C8H9F3N2O3 — CID 22050615

IUPAC(2-methylpyrimidin-5-yl)methanol;2,2,2-trifluoroacetic acid
SMILESCc1ncc(CO)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H8N2O.C2HF3O2/c1-5-7-2-6(4-9)3-8-5;3-2(4,5)1(6)7/h2-3,9H,4H2,1H3;(H,6,7)
InChIKeyJBROMBSPWFPXAV-UHFFFAOYSA-N
MW238.16 g/mol
LogP0.91
Rot. Bonds1

About (2-methylpyrimidin-5-yl)methanol;2,2,2-trifluoroacetic acid

(2-methylpyrimidin-5-yl)methanol;2,2,2-trifluoroacetic acid (PubChem CID 22050615) has the molecular formula C8H9F3N2O3 and a molecular weight of 238.16 g/mol. Its IUPAC name is (2-methylpyrimidin-5-yl)methanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2-methylpyrimidin-5-yl)methanol;2,2,2-trifluoroacetic acid
PubChem CID22050615
Molecular FormulaC8H9F3N2O3
Molecular Weight238.16 g/mol
Exact Mass238.06
IUPAC Name(2-methylpyrimidin-5-yl)methanol;2,2,2-trifluoroacetic acid
SMILESCc1ncc(CO)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H8N2O.C2HF3O2/c1-5-7-2-6(4-9)3-8-5;3-2(4,5)1(6)7/h2-3,9H,4H2,1H3;(H,6,7)
InChIKeyJBROMBSPWFPXAV-UHFFFAOYSA-N
XLogP0.91
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrimidin-5-yl)methanol;2,2,2-trifluoroacetic acid?
The IUPAC name of (2-methylpyrimidin-5-yl)methanol;2,2,2-trifluoroacetic acid (CID 22050615) is (2-methylpyrimidin-5-yl)methanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2-methylpyrimidin-5-yl)methanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2-methylpyrimidin-5-yl)methanol;2,2,2-trifluoroacetic acid is Cc1ncc(CO)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of (2-methylpyrimidin-5-yl)methanol;2,2,2-trifluoroacetic acid?
The InChIKey is JBROMBSPWFPXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.C2HF3O2/c1-5-7-2-6(4-9)3-8-5;3-2(4,5)1(6)7/h2-3,9H,4H2,1H3;(H,6,7).
What are the key properties of (2-methylpyrimidin-5-yl)methanol;2,2,2-trifluoroacetic acid?
(2-methylpyrimidin-5-yl)methanol;2,2,2-trifluoroacetic acid has a molecular weight of 238.16 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrimidin-5-yl)methanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 22050615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).