2-chloro-4-(3-fluorophenoxy)pyrimidine

C10H6ClFN2O — CID 53486075

IUPAC2-chloro-4-(3-fluorophenoxy)pyrimidine
SMILESFc1cccc(Oc2ccnc(Cl)n2)c1
InChIInChI=1S/C10H6ClFN2O/c11-10-13-5-4-9(14-10)15-8-3-1-2-7(12)6-8/h1-6H
InChIKeyRCRAHWDBWXSPQX-UHFFFAOYSA-N
MW224.62 g/mol
LogP3.06
Rot. Bonds2

About 2-chloro-4-(3-fluorophenoxy)pyrimidine

2-chloro-4-(3-fluorophenoxy)pyrimidine (PubChem CID 53486075) has the molecular formula C10H6ClFN2O and a molecular weight of 224.62 g/mol. Its IUPAC name is 2-chloro-4-(3-fluorophenoxy)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(3-fluorophenoxy)pyrimidine
PubChem CID53486075
Molecular FormulaC10H6ClFN2O
Molecular Weight224.62 g/mol
Exact Mass224.02
IUPAC Name2-chloro-4-(3-fluorophenoxy)pyrimidine
SMILESFc1cccc(Oc2ccnc(Cl)n2)c1
InChIInChI=1S/C10H6ClFN2O/c11-10-13-5-4-9(14-10)15-8-3-1-2-7(12)6-8/h1-6H
InChIKeyRCRAHWDBWXSPQX-UHFFFAOYSA-N
XLogP3.06
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.62
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloropyrimidin-4-yl)oxybenzoic acid
CID 28875473
5-chloro-2-(3-fluorophenoxy)pyridine
CID 66233204
2-(3-fluorophenoxy)-4-(trifluoromethyl)pyridine
CID 141360460
[3-chloro-6-(3-fluorophenoxy)-2-pyridinyl]methanamine
CID 62322532
4-fluoro-6-(3-fluorophenoxy)pyrimidine
CID 115416111
6-(3-fluorophenoxy)pyridine-2-carbaldehyde
CID 12879152
4-chloro-6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidine
CID 106766711
2-chloro-6-(3-fluorophenoxy)-4-(trifluoromethyl)pyridine
CID 102715210
2,3,5-trichloro-6-(3-fluorophenoxy)pyridine
CID 102749547
2-chloro-4-(4-methylsulfanylphenoxy)pyrimidine
CID 60726000
7-chloro-4-(3-fluorophenoxy)quinoline
CID 19879037
6-(3-fluorophenoxy)pyridine-2-carbothioamide
CID 64593749

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-fluorophenoxy)pyrimidine?
The IUPAC name of 2-chloro-4-(3-fluorophenoxy)pyrimidine (CID 53486075) is 2-chloro-4-(3-fluorophenoxy)pyrimidine.
What is the SMILES notation for 2-chloro-4-(3-fluorophenoxy)pyrimidine?
The canonical SMILES for 2-chloro-4-(3-fluorophenoxy)pyrimidine is Fc1cccc(Oc2ccnc(Cl)n2)c1.
What is the InChIKey of 2-chloro-4-(3-fluorophenoxy)pyrimidine?
The InChIKey is RCRAHWDBWXSPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2O/c11-10-13-5-4-9(14-10)15-8-3-1-2-7(12)6-8/h1-6H.
What are the key properties of 2-chloro-4-(3-fluorophenoxy)pyrimidine?
2-chloro-4-(3-fluorophenoxy)pyrimidine has a molecular weight of 224.62 g/mol, XLogP of 3.06, 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-fluorophenoxy)pyrimidine is sourced from PubChem (CID 53486075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).