5-(1-hydroxycyclobutyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid

C10H9F3N2O3 — CID 174710627

IUPAC5-(1-hydroxycyclobutyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(C(F)(F)F)ncc1C1(O)CCC1
InChIInChI=1S/C10H9F3N2O3/c11-10(12,13)8-14-4-5(6(15-8)7(16)17)9(18)2-1-3-9/h4,18H,1-3H2,(H,16,17)
InChIKeyILZVKEFTOYOBIP-UHFFFAOYSA-N
MW262.19 g/mol
LogP1.57
Rot. Bonds2

About 5-(1-hydroxycyclobutyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid

5-(1-hydroxycyclobutyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid (PubChem CID 174710627) has the molecular formula C10H9F3N2O3 and a molecular weight of 262.19 g/mol. Its IUPAC name is 5-(1-hydroxycyclobutyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-(1-hydroxycyclobutyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
PubChem CID174710627
Molecular FormulaC10H9F3N2O3
Molecular Weight262.19 g/mol
Exact Mass262.06
IUPAC Name5-(1-hydroxycyclobutyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(C(F)(F)F)ncc1C1(O)CCC1
InChIInChI=1S/C10H9F3N2O3/c11-10(12,13)8-14-4-5(6(15-8)7(16)17)9(18)2-1-3-9/h4,18H,1-3H2,(H,16,17)
InChIKeyILZVKEFTOYOBIP-UHFFFAOYSA-N
XLogP1.57
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxycyclobutyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 5-(1-hydroxycyclobutyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid (CID 174710627) is 5-(1-hydroxycyclobutyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-(1-hydroxycyclobutyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-(1-hydroxycyclobutyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid is O=C(O)c1nc(C(F)(F)F)ncc1C1(O)CCC1.
What is the InChIKey of 5-(1-hydroxycyclobutyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid?
The InChIKey is ILZVKEFTOYOBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O3/c11-10(12,13)8-14-4-5(6(15-8)7(16)17)9(18)2-1-3-9/h4,18H,1-3H2,(H,16,17).
What are the key properties of 5-(1-hydroxycyclobutyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid?
5-(1-hydroxycyclobutyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid has a molecular weight of 262.19 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxycyclobutyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 174710627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).