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

C10H6ClFN2O — CID 5045020

IUPAC2-(3-chloro-4-fluorophenoxy)pyrimidine
SMILESFc1ccc(Oc2ncccn2)cc1Cl
InChIInChI=1S/C10H6ClFN2O/c11-8-6-7(2-3-9(8)12)15-10-13-4-1-5-14-10/h1-6H
InChIKeySYDNAUTTWBDTEI-UHFFFAOYSA-N
MW224.62 g/mol
LogP3.06
Rot. Bonds2

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

2-(3-chloro-4-fluorophenoxy)pyrimidine (PubChem CID 5045020) has the molecular formula C10H6ClFN2O and a molecular weight of 224.62 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)pyrimidine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)pyrimidine
PubChem CID5045020
Molecular FormulaC10H6ClFN2O
Molecular Weight224.62 g/mol
Exact Mass224.02
IUPAC Name2-(3-chloro-4-fluorophenoxy)pyrimidine
SMILESFc1ccc(Oc2ncccn2)cc1Cl
InChIInChI=1S/C10H6ClFN2O/c11-8-6-7(2-3-9(8)12)15-10-13-4-1-5-14-10/h1-6H
InChIKeySYDNAUTTWBDTEI-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

Analyze 2-(3-chloro-4-fluorophenoxy)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chloro-4-fluorophenoxy)pyrimidin-5-amine
CID 63879150
2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
CID 69010329
2-(3-chloro-4-fluorophenoxy)pyridine-3-carbothioamide
CID 63880027
2-(3-bromo-4-fluorophenoxy)-3-chloropyridine
CID 83234949
2-fluoro-4-pyrimidin-2-yloxybenzoyl chloride
CID 172533586
3-(3-chloro-4-fluorophenoxy)pyrazine-2-carbonitrile
CID 55220356
6-bromo-2-(3-chloro-4-fluorophenoxy)pyrimidin-4-amine
CID 116797923
2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-4-methylpyrimidine
CID 83184428
4-chloro-6-(3-chloro-4-fluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 63877958
1-chloro-4-(3-chloro-4-fluorophenoxy)phthalazine
CID 63880024
5-chloro-2-fluoro-N-(4-pyrimidin-2-yloxyphenyl)benzamide
CID 47051311
4-(3-chloro-4-fluorophenoxy)pyridin-3-amine
CID 63878452

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)pyrimidine?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)pyrimidine (CID 5045020) is 2-(3-chloro-4-fluorophenoxy)pyrimidine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)pyrimidine?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)pyrimidine is Fc1ccc(Oc2ncccn2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)pyrimidine?
The InChIKey is SYDNAUTTWBDTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2O/c11-8-6-7(2-3-9(8)12)15-10-13-4-1-5-14-10/h1-6H.
What are the key properties of 2-(3-chloro-4-fluorophenoxy)pyrimidine?
2-(3-chloro-4-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-(3-chloro-4-fluorophenoxy)pyrimidine is sourced from PubChem (CID 5045020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).