2-chloro-4-(4-fluoro-2-methoxyphenyl)pyrimidine

C11H8ClFN2O — CID 24901904

IUPAC2-chloro-4-(4-fluoro-2-methoxyphenyl)pyrimidine
SMILESCOc1cc(F)ccc1-c1ccnc(Cl)n1
InChIInChI=1S/C11H8ClFN2O/c1-16-10-6-7(13)2-3-8(10)9-4-5-14-11(12)15-9/h2-6H,1H3
InChIKeyXXDWIVIRVZIFRJ-UHFFFAOYSA-N
MW238.65 g/mol
LogP2.94
Rot. Bonds2

About 2-chloro-4-(4-fluoro-2-methoxyphenyl)pyrimidine

2-chloro-4-(4-fluoro-2-methoxyphenyl)pyrimidine (PubChem CID 24901904) has the molecular formula C11H8ClFN2O and a molecular weight of 238.65 g/mol. Its IUPAC name is 2-chloro-4-(4-fluoro-2-methoxyphenyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(4-fluoro-2-methoxyphenyl)pyrimidine
PubChem CID24901904
Molecular FormulaC11H8ClFN2O
Molecular Weight238.65 g/mol
Exact Mass238.03
IUPAC Name2-chloro-4-(4-fluoro-2-methoxyphenyl)pyrimidine
SMILESCOc1cc(F)ccc1-c1ccnc(Cl)n1
InChIInChI=1S/C11H8ClFN2O/c1-16-10-6-7(13)2-3-8(10)9-4-5-14-11(12)15-9/h2-6H,1H3
InChIKeyXXDWIVIRVZIFRJ-UHFFFAOYSA-N
XLogP2.94
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(2-ethoxy-5-fluorophenyl)pyrimidine
CID 24901936
2-chloro-4-(2,5-dimethoxyphenyl)pyrimidine
CID 24902001
2-chloro-8-(4-fluoro-2-methoxyphenyl)quinazoline
CID 122648777
2-chloro-4-(3-fluoro-2-methoxyphenyl)pyrimidine
CID 24901962
4-(4-fluoro-2-methoxyphenyl)-1,3-thiazole
CID 177183935
[2-chloro-4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methanamine
CID 88879811
2-chloro-4-(2-methoxy-4,6-dimethylphenyl)pyrimidine
CID 106681385
[2-(2-chloropyrimidin-4-yl)-4-fluorophenyl]methanamine
CID 89351224
2-(2-chloroethyl)-4-(5-fluoro-2-methoxyphenyl)pyrimidine
CID 116899336
5-(2-chloropyrimidin-4-yl)-2-methoxyphenol
CID 91620392
1-[4-(5-fluoro-2-methoxyphenyl)pyrimidin-2-yl]ethanone
CID 116901449
2-chloro-4-(2-phenoxyphenyl)pyrimidine
CID 24901901

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-fluoro-2-methoxyphenyl)pyrimidine?
The IUPAC name of 2-chloro-4-(4-fluoro-2-methoxyphenyl)pyrimidine (CID 24901904) is 2-chloro-4-(4-fluoro-2-methoxyphenyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(4-fluoro-2-methoxyphenyl)pyrimidine?
The canonical SMILES for 2-chloro-4-(4-fluoro-2-methoxyphenyl)pyrimidine is COc1cc(F)ccc1-c1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-4-(4-fluoro-2-methoxyphenyl)pyrimidine?
The InChIKey is XXDWIVIRVZIFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O/c1-16-10-6-7(13)2-3-8(10)9-4-5-14-11(12)15-9/h2-6H,1H3.
What are the key properties of 2-chloro-4-(4-fluoro-2-methoxyphenyl)pyrimidine?
2-chloro-4-(4-fluoro-2-methoxyphenyl)pyrimidine has a molecular weight of 238.65 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-fluoro-2-methoxyphenyl)pyrimidine is sourced from PubChem (CID 24901904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).