4-chloro-6-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)pyrimidine

C16H11ClFN3 — CID 14623118

IUPAC4-chloro-6-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)pyrimidine
SMILESCc1cccc(-c2nc(Cl)cc(-c3ccccc3F)n2)n1
InChIInChI=1S/C16H11ClFN3/c1-10-5-4-8-13(19-10)16-20-14(9-15(17)21-16)11-6-2-3-7-12(11)18/h2-9H,1H3
InChIKeyPEDROZGGOOEVNZ-UHFFFAOYSA-N
MW299.74 g/mol
LogP4.31
Rot. Bonds2

About 4-chloro-6-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)pyrimidine

4-chloro-6-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)pyrimidine (PubChem CID 14623118) has the molecular formula C16H11ClFN3 and a molecular weight of 299.74 g/mol. Its IUPAC name is 4-chloro-6-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)pyrimidine
PubChem CID14623118
Molecular FormulaC16H11ClFN3
Molecular Weight299.74 g/mol
Exact Mass299.06
IUPAC Name4-chloro-6-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)pyrimidine
SMILESCc1cccc(-c2nc(Cl)cc(-c3ccccc3F)n2)n1
InChIInChI=1S/C16H11ClFN3/c1-10-5-4-8-13(19-10)16-20-14(9-15(17)21-16)11-6-2-3-7-12(11)18/h2-9H,1H3
InChIKeyPEDROZGGOOEVNZ-UHFFFAOYSA-N
XLogP4.31
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.74
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)pyrimidine?
The IUPAC name of 4-chloro-6-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)pyrimidine (CID 14623118) is 4-chloro-6-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)pyrimidine is Cc1cccc(-c2nc(Cl)cc(-c3ccccc3F)n2)n1.
What is the InChIKey of 4-chloro-6-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)pyrimidine?
The InChIKey is PEDROZGGOOEVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3/c1-10-5-4-8-13(19-10)16-20-14(9-15(17)21-16)11-6-2-3-7-12(11)18/h2-9H,1H3.
What are the key properties of 4-chloro-6-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)pyrimidine?
4-chloro-6-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)pyrimidine has a molecular weight of 299.74 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)pyrimidine is sourced from PubChem (CID 14623118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).