2-(2-chloro-4-pyridinyl)-4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine

C16H10ClF3N4 — CID 86624635

IUPAC2-(2-chloro-4-pyridinyl)-4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
SMILESCc1cc(-c2ccc(C(F)(F)F)nc2)nc(-c2ccnc(Cl)c2)n1
InChIInChI=1S/C16H10ClF3N4/c1-9-6-12(11-2-3-13(22-8-11)16(18,19)20)24-15(23-9)10-4-5-21-14(17)7-10/h2-8H,1H3
InChIKeyACLFQCCYCGLOJR-UHFFFAOYSA-N
MW350.73 g/mol
LogP4.58
Rot. Bonds2

About 2-(2-chloro-4-pyridinyl)-4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine

2-(2-chloro-4-pyridinyl)-4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine (PubChem CID 86624635) has the molecular formula C16H10ClF3N4 and a molecular weight of 350.73 g/mol. Its IUPAC name is 2-(2-chloro-4-pyridinyl)-4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine.

Molecular Properties

Compound Name2-(2-chloro-4-pyridinyl)-4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
PubChem CID86624635
Molecular FormulaC16H10ClF3N4
Molecular Weight350.73 g/mol
Exact Mass350.05
IUPAC Name2-(2-chloro-4-pyridinyl)-4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
SMILESCc1cc(-c2ccc(C(F)(F)F)nc2)nc(-c2ccnc(Cl)c2)n1
InChIInChI=1S/C16H10ClF3N4/c1-9-6-12(11-2-3-13(22-8-11)16(18,19)20)24-15(23-9)10-4-5-21-14(17)7-10/h2-8H,1H3
InChIKeyACLFQCCYCGLOJR-UHFFFAOYSA-N
XLogP4.58
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.73
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-(2-chloro-4-pyridinyl)-4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
The IUPAC name of 2-(2-chloro-4-pyridinyl)-4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine (CID 86624635) is 2-(2-chloro-4-pyridinyl)-4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine.
What is the SMILES notation for 2-(2-chloro-4-pyridinyl)-4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
The canonical SMILES for 2-(2-chloro-4-pyridinyl)-4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine is Cc1cc(-c2ccc(C(F)(F)F)nc2)nc(-c2ccnc(Cl)c2)n1.
What is the InChIKey of 2-(2-chloro-4-pyridinyl)-4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
The InChIKey is ACLFQCCYCGLOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N4/c1-9-6-12(11-2-3-13(22-8-11)16(18,19)20)24-15(23-9)10-4-5-21-14(17)7-10/h2-8H,1H3.
What are the key properties of 2-(2-chloro-4-pyridinyl)-4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
2-(2-chloro-4-pyridinyl)-4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine has a molecular weight of 350.73 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-pyridinyl)-4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine is sourced from PubChem (CID 86624635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).