2-(3,4-dichlorophenyl)-5-(difluoromethoxy)pyrimidine

C11H6Cl2F2N2O — CID 118813907

IUPAC2-(3,4-dichlorophenyl)-5-(difluoromethoxy)pyrimidine
SMILESFC(F)Oc1cnc(-c2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C11H6Cl2F2N2O/c12-8-2-1-6(3-9(8)13)10-16-4-7(5-17-10)18-11(14)15/h1-5,11H
InChIKeyUCEYZTLZHPPCTK-UHFFFAOYSA-N
MW291.08 g/mol
LogP4.05
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-5-(difluoromethoxy)pyrimidine

2-(3,4-dichlorophenyl)-5-(difluoromethoxy)pyrimidine (PubChem CID 118813907) has the molecular formula C11H6Cl2F2N2O and a molecular weight of 291.08 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-5-(difluoromethoxy)pyrimidine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-5-(difluoromethoxy)pyrimidine
PubChem CID118813907
Molecular FormulaC11H6Cl2F2N2O
Molecular Weight291.08 g/mol
Exact Mass289.98
IUPAC Name2-(3,4-dichlorophenyl)-5-(difluoromethoxy)pyrimidine
SMILESFC(F)Oc1cnc(-c2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C11H6Cl2F2N2O/c12-8-2-1-6(3-9(8)13)10-16-4-7(5-17-10)18-11(14)15/h1-5,11H
InChIKeyUCEYZTLZHPPCTK-UHFFFAOYSA-N
XLogP4.05
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.08
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-5-methoxypyrimidine
CID 118808074
(3,4-dichlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine
CID 43167241
2-[4-(difluoromethoxy)phenyl]-5-methylpyrimidine
CID 19436135
2-(2,6-dichlorophenyl)-5-(difluoromethoxy)pyridine
CID 118825016
2-[4-[4-(difluoromethoxy)phenyl]phenyl]-5-ethylpyrimidine
CID 15114080
5-(difluoromethoxy)pyrimidin-2-amine
CID 139417201
2-(2,4-dichlorophenyl)-5-(difluoromethoxy)pyridine
CID 170837762
5-chloro-2-(3,4-dichlorophenyl)pyrimidine-4-carboxylic acid
CID 82168579
2-chloro-5-(difluoromethoxy)benzenethiol
CID 119002966
3-(3,4-dichlorophenyl)-2-fluoro-5-methoxypyridine
CID 133090437
2-chloro-5-(difluoromethoxy)pyridine-3-carbaldehyde
CID 119008832
5-(3,4-dichlorophenyl)-2-fluoropyrimidine
CID 130167089

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-5-(difluoromethoxy)pyrimidine?
The IUPAC name of 2-(3,4-dichlorophenyl)-5-(difluoromethoxy)pyrimidine (CID 118813907) is 2-(3,4-dichlorophenyl)-5-(difluoromethoxy)pyrimidine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-5-(difluoromethoxy)pyrimidine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-5-(difluoromethoxy)pyrimidine is FC(F)Oc1cnc(-c2ccc(Cl)c(Cl)c2)nc1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-5-(difluoromethoxy)pyrimidine?
The InChIKey is UCEYZTLZHPPCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2F2N2O/c12-8-2-1-6(3-9(8)13)10-16-4-7(5-17-10)18-11(14)15/h1-5,11H.
What are the key properties of 2-(3,4-dichlorophenyl)-5-(difluoromethoxy)pyrimidine?
2-(3,4-dichlorophenyl)-5-(difluoromethoxy)pyrimidine has a molecular weight of 291.08 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-5-(difluoromethoxy)pyrimidine is sourced from PubChem (CID 118813907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).