2-chloro-4-(3-ethylphenoxy)-5-fluoropyrimidine

C12H10ClFN2O — CID 79081904

IUPAC2-chloro-4-(3-ethylphenoxy)-5-fluoropyrimidine
SMILESCCc1cccc(Oc2nc(Cl)ncc2F)c1
InChIInChI=1S/C12H10ClFN2O/c1-2-8-4-3-5-9(6-8)17-11-10(14)7-15-12(13)16-11/h3-7H,2H2,1H3
InChIKeyMQRNCMBXRXIFSY-UHFFFAOYSA-N
MW252.68 g/mol
LogP3.62
Rot. Bonds3

About 2-chloro-4-(3-ethylphenoxy)-5-fluoropyrimidine

2-chloro-4-(3-ethylphenoxy)-5-fluoropyrimidine (PubChem CID 79081904) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is 2-chloro-4-(3-ethylphenoxy)-5-fluoropyrimidine.

Molecular Properties

Compound Name2-chloro-4-(3-ethylphenoxy)-5-fluoropyrimidine
PubChem CID79081904
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name2-chloro-4-(3-ethylphenoxy)-5-fluoropyrimidine
SMILESCCc1cccc(Oc2nc(Cl)ncc2F)c1
InChIInChI=1S/C12H10ClFN2O/c1-2-8-4-3-5-9(6-8)17-11-10(14)7-15-12(13)16-11/h3-7H,2H2,1H3
InChIKeyMQRNCMBXRXIFSY-UHFFFAOYSA-N
XLogP3.62
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-5-fluoropyrimidin-4-yl)oxyaniline
CID 118067174
2-chloro-4-(3-ethylphenoxy)-5-nitropyrimidine
CID 114044199
2-chloro-4-(4-ethoxyphenoxy)-5-fluoropyrimidine
CID 79081907
2-chloro-N-(3-ethylphenyl)-5-fluoropyrimidin-4-amine
CID 79080610
[5-chloro-4-(3-ethylphenoxy)pyrimidin-2-yl]hydrazine
CID 80913199
2-chloro-5-fluoro-4-(4-phenylphenoxy)pyrimidine
CID 79081506
2-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluoropyrimidine
CID 103174579
2-(3-ethylphenoxy)-5-methylpyridine
CID 135224750
4-(3-ethylphenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80860603
[3-(2-chloro-5-nitropyrimidin-4-yl)oxyphenyl]methanol
CID 114044249
5-fluoro-2,4-bis(3-methylphenoxy)pyrimidine
CID 679767
2-chloro-4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]phenoxy]-5-fluoropyrimidine
CID 151441168

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-ethylphenoxy)-5-fluoropyrimidine?
The IUPAC name of 2-chloro-4-(3-ethylphenoxy)-5-fluoropyrimidine (CID 79081904) is 2-chloro-4-(3-ethylphenoxy)-5-fluoropyrimidine.
What is the SMILES notation for 2-chloro-4-(3-ethylphenoxy)-5-fluoropyrimidine?
The canonical SMILES for 2-chloro-4-(3-ethylphenoxy)-5-fluoropyrimidine is CCc1cccc(Oc2nc(Cl)ncc2F)c1.
What is the InChIKey of 2-chloro-4-(3-ethylphenoxy)-5-fluoropyrimidine?
The InChIKey is MQRNCMBXRXIFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c1-2-8-4-3-5-9(6-8)17-11-10(14)7-15-12(13)16-11/h3-7H,2H2,1H3.
What are the key properties of 2-chloro-4-(3-ethylphenoxy)-5-fluoropyrimidine?
2-chloro-4-(3-ethylphenoxy)-5-fluoropyrimidine has a molecular weight of 252.68 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-ethylphenoxy)-5-fluoropyrimidine is sourced from PubChem (CID 79081904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).