5-(2,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrimidine

C10H4Cl2F3N3 — CID 118008470

IUPAC5-(2,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ncc(-c2cc(Cl)ncc2Cl)cn1
InChIInChI=1S/C10H4Cl2F3N3/c11-7-4-16-8(12)1-6(7)5-2-17-9(18-3-5)10(13,14)15/h1-4H
InChIKeyYCBDGWQGVXIVQJ-UHFFFAOYSA-N
MW294.06 g/mol
LogP3.86
Rot. Bonds1

About 5-(2,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrimidine

5-(2,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrimidine (PubChem CID 118008470) has the molecular formula C10H4Cl2F3N3 and a molecular weight of 294.06 g/mol. Its IUPAC name is 5-(2,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-(2,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrimidine
PubChem CID118008470
Molecular FormulaC10H4Cl2F3N3
Molecular Weight294.06 g/mol
Exact Mass292.97
IUPAC Name5-(2,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ncc(-c2cc(Cl)ncc2Cl)cn1
InChIInChI=1S/C10H4Cl2F3N3/c11-7-4-16-8(12)1-6(7)5-2-17-9(18-3-5)10(13,14)15/h1-4H
InChIKeyYCBDGWQGVXIVQJ-UHFFFAOYSA-N
XLogP3.86
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.06
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-(2,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrimidine (CID 118008470) is 5-(2,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-(2,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-(2,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrimidine is FC(F)(F)c1ncc(-c2cc(Cl)ncc2Cl)cn1.
What is the InChIKey of 5-(2,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is YCBDGWQGVXIVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl2F3N3/c11-7-4-16-8(12)1-6(7)5-2-17-9(18-3-5)10(13,14)15/h1-4H.
What are the key properties of 5-(2,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrimidine?
5-(2,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 294.06 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 118008470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).