1-(4,5-dimethyl-2-pyridinyl)-2,2,2-trifluoroethanol

C9H10F3NO — CID 166123454

IUPAC1-(4,5-dimethyl-2-pyridinyl)-2,2,2-trifluoroethanol
SMILESCc1cnc(C(O)C(F)(F)F)cc1C
InChIInChI=1S/C9H10F3NO/c1-5-3-7(13-4-6(5)2)8(14)9(10,11)12/h3-4,8,14H,1-2H3
InChIKeyMCPYGYPDYQGNRI-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.29
Rot. Bonds1

About 1-(4,5-dimethyl-2-pyridinyl)-2,2,2-trifluoroethanol

1-(4,5-dimethyl-2-pyridinyl)-2,2,2-trifluoroethanol (PubChem CID 166123454) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 1-(4,5-dimethyl-2-pyridinyl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(4,5-dimethyl-2-pyridinyl)-2,2,2-trifluoroethanol
PubChem CID166123454
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name1-(4,5-dimethyl-2-pyridinyl)-2,2,2-trifluoroethanol
SMILESCc1cnc(C(O)C(F)(F)F)cc1C
InChIInChI=1S/C9H10F3NO/c1-5-3-7(13-4-6(5)2)8(14)9(10,11)12/h3-4,8,14H,1-2H3
InChIKeyMCPYGYPDYQGNRI-UHFFFAOYSA-N
XLogP2.29
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-2-pyridinyl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(4,5-dimethyl-2-pyridinyl)-2,2,2-trifluoroethanol (CID 166123454) is 1-(4,5-dimethyl-2-pyridinyl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(4,5-dimethyl-2-pyridinyl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(4,5-dimethyl-2-pyridinyl)-2,2,2-trifluoroethanol is Cc1cnc(C(O)C(F)(F)F)cc1C.
What is the InChIKey of 1-(4,5-dimethyl-2-pyridinyl)-2,2,2-trifluoroethanol?
The InChIKey is MCPYGYPDYQGNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-5-3-7(13-4-6(5)2)8(14)9(10,11)12/h3-4,8,14H,1-2H3.
What are the key properties of 1-(4,5-dimethyl-2-pyridinyl)-2,2,2-trifluoroethanol?
1-(4,5-dimethyl-2-pyridinyl)-2,2,2-trifluoroethanol has a molecular weight of 205.18 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-2-pyridinyl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 166123454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).