2-chloro-4-(3-chloro-2-fluorophenoxy)-5-methylpyrimidine

C11H7Cl2FN2O — CID 116689002

IUPAC2-chloro-4-(3-chloro-2-fluorophenoxy)-5-methylpyrimidine
SMILESCc1cnc(Cl)nc1Oc1cccc(Cl)c1F
InChIInChI=1S/C11H7Cl2FN2O/c1-6-5-15-11(13)16-10(6)17-8-4-2-3-7(12)9(8)14/h2-5H,1H3
InChIKeySLCVUYJVJLCIHX-UHFFFAOYSA-N
MW273.09 g/mol
LogP4.02
Rot. Bonds2

About 2-chloro-4-(3-chloro-2-fluorophenoxy)-5-methylpyrimidine

2-chloro-4-(3-chloro-2-fluorophenoxy)-5-methylpyrimidine (PubChem CID 116689002) has the molecular formula C11H7Cl2FN2O and a molecular weight of 273.09 g/mol. Its IUPAC name is 2-chloro-4-(3-chloro-2-fluorophenoxy)-5-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-(3-chloro-2-fluorophenoxy)-5-methylpyrimidine
PubChem CID116689002
Molecular FormulaC11H7Cl2FN2O
Molecular Weight273.09 g/mol
Exact Mass271.99
IUPAC Name2-chloro-4-(3-chloro-2-fluorophenoxy)-5-methylpyrimidine
SMILESCc1cnc(Cl)nc1Oc1cccc(Cl)c1F
InChIInChI=1S/C11H7Cl2FN2O/c1-6-5-15-11(13)16-10(6)17-8-4-2-3-7(12)9(8)14/h2-5H,1H3
InChIKeySLCVUYJVJLCIHX-UHFFFAOYSA-N
XLogP4.02
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.09
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897
3-bromo-2-(3-chloro-2-fluorophenoxy)-4-methylpyridine
CID 106878109
2-chloro-5-methyl-4-(3-methyl-2-nitrophenoxy)pyrimidine
CID 79076039
5-bromo-3-chloro-2-(3-chloro-2-fluorophenoxy)pyridine
CID 103583765
2-chloro-6-(3-chloro-2-fluorophenoxy)-7H-purine
CID 116688984
6-(3-chloro-2-fluorophenoxy)-5-methylpyrimidin-4-amine
CID 116691260
5-bromo-6-(3-chloro-2-fluorophenoxy)-4-methylpyridin-3-amine
CID 116688640
N-[[6-(3-chloro-2-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]ethanamine
CID 116689576
2-chloro-4-methoxy-5-methylpyrimidine
CID 11051933
3-(3-chloro-2-fluorophenoxy)pyrazine-2-carbonitrile
CID 116689023
2-chloro-4-[2-(2-chloro-5-methylpyrimidin-4-yl)oxyethoxy]-5-methylpyrimidine
CID 171097396
4-(3-chloro-2-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103333496

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-chloro-2-fluorophenoxy)-5-methylpyrimidine?
The IUPAC name of 2-chloro-4-(3-chloro-2-fluorophenoxy)-5-methylpyrimidine (CID 116689002) is 2-chloro-4-(3-chloro-2-fluorophenoxy)-5-methylpyrimidine.
What is the SMILES notation for 2-chloro-4-(3-chloro-2-fluorophenoxy)-5-methylpyrimidine?
The canonical SMILES for 2-chloro-4-(3-chloro-2-fluorophenoxy)-5-methylpyrimidine is Cc1cnc(Cl)nc1Oc1cccc(Cl)c1F.
What is the InChIKey of 2-chloro-4-(3-chloro-2-fluorophenoxy)-5-methylpyrimidine?
The InChIKey is SLCVUYJVJLCIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FN2O/c1-6-5-15-11(13)16-10(6)17-8-4-2-3-7(12)9(8)14/h2-5H,1H3.
What are the key properties of 2-chloro-4-(3-chloro-2-fluorophenoxy)-5-methylpyrimidine?
2-chloro-4-(3-chloro-2-fluorophenoxy)-5-methylpyrimidine has a molecular weight of 273.09 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-chloro-2-fluorophenoxy)-5-methylpyrimidine is sourced from PubChem (CID 116689002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).