5-chloro-2-[[2-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine

C14H8ClF4N5 — CID 177117758

IUPAC5-chloro-2-[[2-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
SMILESFc1ccc(-c2nc(C(F)(F)F)cn2Cc2ncc(Cl)cn2)cn1
InChIInChI=1S/C14H8ClF4N5/c15-9-4-21-12(22-5-9)7-24-6-10(14(17,18)19)23-13(24)8-1-2-11(16)20-3-8/h1-6H,7H2
InChIKeyBJNSIKPLRKJQLF-UHFFFAOYSA-N
MW357.70 g/mol
LogP3.59
Rot. Bonds3

About 5-chloro-2-[[2-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine

5-chloro-2-[[2-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine (PubChem CID 177117758) has the molecular formula C14H8ClF4N5 and a molecular weight of 357.70 g/mol. Its IUPAC name is 5-chloro-2-[[2-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[[2-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
PubChem CID177117758
Molecular FormulaC14H8ClF4N5
Molecular Weight357.70 g/mol
Exact Mass357.04
IUPAC Name5-chloro-2-[[2-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
SMILESFc1ccc(-c2nc(C(F)(F)F)cn2Cc2ncc(Cl)cn2)cn1
InChIInChI=1S/C14H8ClF4N5/c15-9-4-21-12(22-5-9)7-24-6-10(14(17,18)19)23-13(24)8-1-2-11(16)20-3-8/h1-6H,7H2
InChIKeyBJNSIKPLRKJQLF-UHFFFAOYSA-N
XLogP3.59
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.70
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-chloro-2-[[2-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The IUPAC name of 5-chloro-2-[[2-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine (CID 177117758) is 5-chloro-2-[[2-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine.
What is the SMILES notation for 5-chloro-2-[[2-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The canonical SMILES for 5-chloro-2-[[2-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine is Fc1ccc(-c2nc(C(F)(F)F)cn2Cc2ncc(Cl)cn2)cn1.
What is the InChIKey of 5-chloro-2-[[2-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The InChIKey is BJNSIKPLRKJQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF4N5/c15-9-4-21-12(22-5-9)7-24-6-10(14(17,18)19)23-13(24)8-1-2-11(16)20-3-8/h1-6H,7H2.
What are the key properties of 5-chloro-2-[[2-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
5-chloro-2-[[2-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine has a molecular weight of 357.70 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[2-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine is sourced from PubChem (CID 177117758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).