4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine

C11H8ClFN2 — CID 115502919

IUPAC4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine
SMILESCc1c(F)cccc1-c1cc(Cl)ncn1
InChIInChI=1S/C11H8ClFN2/c1-7-8(3-2-4-9(7)13)10-5-11(12)15-6-14-10/h2-6H,1H3
InChIKeyJEZAPVCCESFYEA-UHFFFAOYSA-N
MW222.65 g/mol
LogP3.24
Rot. Bonds1

About 4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine

4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine (PubChem CID 115502919) has the molecular formula C11H8ClFN2 and a molecular weight of 222.65 g/mol. Its IUPAC name is 4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine
PubChem CID115502919
Molecular FormulaC11H8ClFN2
Molecular Weight222.65 g/mol
Exact Mass222.04
IUPAC Name4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine
SMILESCc1c(F)cccc1-c1cc(Cl)ncn1
InChIInChI=1S/C11H8ClFN2/c1-7-8(3-2-4-9(7)13)10-5-11(12)15-6-14-10/h2-6H,1H3
InChIKeyJEZAPVCCESFYEA-UHFFFAOYSA-N
XLogP3.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.65
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine
CID 115502956
2-tert-butyl-4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine
CID 115502930
4-chloro-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidine
CID 115502906
4-chloro-6-(4-chloro-2-methylphenyl)pyrimidine
CID 24902067
2-chloro-4-(3-fluoro-2-methylphenyl)-6-methylpyrimidine
CID 115502925
4-chloro-6-(2-chloro-4-fluorophenyl)pyrimidine
CID 24902070
4-chloro-5-ethyl-6-(3-fluoro-2-methylphenyl)pyrimidine
CID 115502928
3-(6-chloropyrimidin-4-yl)-4-fluorobenzaldehyde
CID 24902161
4-chloro-6-(2,3-difluorophenyl)-2-methylpyrimidine
CID 22599696
4-chloro-2-(3-fluoro-2-methylphenyl)-1,3-thiazole
CID 83158562
4-(3-fluoro-2-methylphenyl)-6-methyl-1H-pyrimidin-2-one
CID 106520134
4-(2,3-dimethylphenyl)-6-phenylpyrimidine
CID 140733760

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine?
The IUPAC name of 4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine (CID 115502919) is 4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine is Cc1c(F)cccc1-c1cc(Cl)ncn1.
What is the InChIKey of 4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine?
The InChIKey is JEZAPVCCESFYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2/c1-7-8(3-2-4-9(7)13)10-5-11(12)15-6-14-10/h2-6H,1H3.
What are the key properties of 4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine?
4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine has a molecular weight of 222.65 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-fluoro-2-methylphenyl)pyrimidine is sourced from PubChem (CID 115502919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).