5-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine

C10H6F3N3 — CID 170449159

IUPAC5-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine
SMILESFC(F)(F)c1ncccc1-c1cncnc1
InChIInChI=1S/C10H6F3N3/c11-10(12,13)9-8(2-1-3-16-9)7-4-14-6-15-5-7/h1-6H
InChIKeyHOUMWTYNDOTQRC-UHFFFAOYSA-N
MW225.17 g/mol
LogP2.56
Rot. Bonds1

About 5-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine

5-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine (PubChem CID 170449159) has the molecular formula C10H6F3N3 and a molecular weight of 225.17 g/mol. Its IUPAC name is 5-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine.

Molecular Properties

Compound Name5-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine
PubChem CID170449159
Molecular FormulaC10H6F3N3
Molecular Weight225.17 g/mol
Exact Mass225.05
IUPAC Name5-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine
SMILESFC(F)(F)c1ncccc1-c1cncnc1
InChIInChI=1S/C10H6F3N3/c11-10(12,13)9-8(2-1-3-16-9)7-4-14-6-15-5-7/h1-6H
InChIKeyHOUMWTYNDOTQRC-UHFFFAOYSA-N
XLogP2.56
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine?
The IUPAC name of 5-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine (CID 170449159) is 5-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine.
What is the SMILES notation for 5-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine?
The canonical SMILES for 5-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine is FC(F)(F)c1ncccc1-c1cncnc1.
What is the InChIKey of 5-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine?
The InChIKey is HOUMWTYNDOTQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3/c11-10(12,13)9-8(2-1-3-16-9)7-4-14-6-15-5-7/h1-6H.
What are the key properties of 5-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine?
5-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine has a molecular weight of 225.17 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(trifluoromethyl)-3-pyridinyl]pyrimidine is sourced from PubChem (CID 170449159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).