2-chloro-5-[fluoro-(2-fluoro-3,5-dimethoxyphenyl)methoxy]pyrimidine

C13H11ClF2N2O3 — CID 122604537

IUPAC2-chloro-5-[fluoro-(2-fluoro-3,5-dimethoxyphenyl)methoxy]pyrimidine
SMILESCOc1cc(OC)c(F)c(C(F)Oc2cnc(Cl)nc2)c1
InChIInChI=1S/C13H11ClF2N2O3/c1-19-7-3-9(11(15)10(4-7)20-2)12(16)21-8-5-17-13(14)18-6-8/h3-6,12H,1-2H3
InChIKeyOUFRGZXWXCVFDX-UHFFFAOYSA-N
MW316.69 g/mol
LogP3.33
Rot. Bonds5

About 2-chloro-5-[fluoro-(2-fluoro-3,5-dimethoxyphenyl)methoxy]pyrimidine

2-chloro-5-[fluoro-(2-fluoro-3,5-dimethoxyphenyl)methoxy]pyrimidine (PubChem CID 122604537) has the molecular formula C13H11ClF2N2O3 and a molecular weight of 316.69 g/mol. Its IUPAC name is 2-chloro-5-[fluoro-(2-fluoro-3,5-dimethoxyphenyl)methoxy]pyrimidine.

Molecular Properties

Compound Name2-chloro-5-[fluoro-(2-fluoro-3,5-dimethoxyphenyl)methoxy]pyrimidine
PubChem CID122604537
Molecular FormulaC13H11ClF2N2O3
Molecular Weight316.69 g/mol
Exact Mass316.04
IUPAC Name2-chloro-5-[fluoro-(2-fluoro-3,5-dimethoxyphenyl)methoxy]pyrimidine
SMILESCOc1cc(OC)c(F)c(C(F)Oc2cnc(Cl)nc2)c1
InChIInChI=1S/C13H11ClF2N2O3/c1-19-7-3-9(11(15)10(4-7)20-2)12(16)21-8-5-17-13(14)18-6-8/h3-6,12H,1-2H3
InChIKeyOUFRGZXWXCVFDX-UHFFFAOYSA-N
XLogP3.33
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.69
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluoro-3,5-dimethoxyphenyl)ethanol
CID 117289259
5-chloro-2-(difluoromethyl)-3-methoxypyridine
CID 130095452
1-(difluoromethyl)-2-iodo-3,5-dimethoxybenzene
CID 130926019
chloro-tris(2,4,6-trimethoxyphenyl)silane
CID 88962916
1,2,3,4,5-pentafluoro-6-(2,4,6-trimethoxyphenyl)benzene
CID 102431568
2-chloro-3-(difluoromethyl)-4-fluoro-5-methoxypyridine
CID 119010666
3-ethoxy-2-fluoro-5-methoxyaniline
CID 18444807
1-(1-chloro-2,2-difluoroethyl)-2,4-dimethoxybenzene
CID 103514415
2-(difluoromethyl)-3,4-difluoro-5-methoxypyridine
CID 130099673
2-chloro-5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyridine
CID 122604606
2-chloro-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine
CID 139385412
4-[2-cyano-2-(2-fluoro-3,5-dimethoxyphenyl)ethyl]benzonitrile
CID 58258175

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[fluoro-(2-fluoro-3,5-dimethoxyphenyl)methoxy]pyrimidine?
The IUPAC name of 2-chloro-5-[fluoro-(2-fluoro-3,5-dimethoxyphenyl)methoxy]pyrimidine (CID 122604537) is 2-chloro-5-[fluoro-(2-fluoro-3,5-dimethoxyphenyl)methoxy]pyrimidine.
What is the SMILES notation for 2-chloro-5-[fluoro-(2-fluoro-3,5-dimethoxyphenyl)methoxy]pyrimidine?
The canonical SMILES for 2-chloro-5-[fluoro-(2-fluoro-3,5-dimethoxyphenyl)methoxy]pyrimidine is COc1cc(OC)c(F)c(C(F)Oc2cnc(Cl)nc2)c1.
What is the InChIKey of 2-chloro-5-[fluoro-(2-fluoro-3,5-dimethoxyphenyl)methoxy]pyrimidine?
The InChIKey is OUFRGZXWXCVFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2O3/c1-19-7-3-9(11(15)10(4-7)20-2)12(16)21-8-5-17-13(14)18-6-8/h3-6,12H,1-2H3.
What are the key properties of 2-chloro-5-[fluoro-(2-fluoro-3,5-dimethoxyphenyl)methoxy]pyrimidine?
2-chloro-5-[fluoro-(2-fluoro-3,5-dimethoxyphenyl)methoxy]pyrimidine has a molecular weight of 316.69 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[fluoro-(2-fluoro-3,5-dimethoxyphenyl)methoxy]pyrimidine is sourced from PubChem (CID 122604537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).