4-fluoro-6-[5-(trifluoromethoxy)-2-pyridinyl]pyrimidine

C10H5F4N3O — CID 178127406

IUPAC4-fluoro-6-[5-(trifluoromethoxy)-2-pyridinyl]pyrimidine
SMILESFc1cc(-c2ccc(OC(F)(F)F)cn2)ncn1
InChIInChI=1S/C10H5F4N3O/c11-9-3-8(16-5-17-9)7-2-1-6(4-15-7)18-10(12,13)14/h1-5H
InChIKeySPZMVUBHVYDNOI-UHFFFAOYSA-N
MW259.16 g/mol
LogP2.58
Rot. Bonds2

About 4-fluoro-6-[5-(trifluoromethoxy)-2-pyridinyl]pyrimidine

4-fluoro-6-[5-(trifluoromethoxy)-2-pyridinyl]pyrimidine (PubChem CID 178127406) has the molecular formula C10H5F4N3O and a molecular weight of 259.16 g/mol. Its IUPAC name is 4-fluoro-6-[5-(trifluoromethoxy)-2-pyridinyl]pyrimidine.

Molecular Properties

Compound Name4-fluoro-6-[5-(trifluoromethoxy)-2-pyridinyl]pyrimidine
PubChem CID178127406
Molecular FormulaC10H5F4N3O
Molecular Weight259.16 g/mol
Exact Mass259.04
IUPAC Name4-fluoro-6-[5-(trifluoromethoxy)-2-pyridinyl]pyrimidine
SMILESFc1cc(-c2ccc(OC(F)(F)F)cn2)ncn1
InChIInChI=1S/C10H5F4N3O/c11-9-3-8(16-5-17-9)7-2-1-6(4-15-7)18-10(12,13)14/h1-5H
InChIKeySPZMVUBHVYDNOI-UHFFFAOYSA-N
XLogP2.58
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.16
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[5-(trifluoromethoxy)-2-pyridinyl]pyridin-3-amine
CID 114281005
2-fluoro-4,5-bis[4-(trifluoromethoxy)phenyl]pyridine
CID 118829246
6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxylic acid
CID 148732120
2-propan-2-yl-5-[5-(trifluoromethoxy)-2-pyridinyl]-1,3,4-oxadiazole
CID 169162789
3-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-thiadiazol-5-amine
CID 155230831
3-[5-(trifluoromethoxy)-2-pyridinyl]pyridin-4-amine
CID 171572565
4-chloro-6-[4-(trifluoromethoxy)phenyl]pyrimidine;ethane
CID 143849483
ethane;N-propan-2-yl-5-(trifluoromethoxy)pyridin-2-amine
CID 169238058
1-[5-(trifluoromethoxy)-2-pyridinyl]azepane
CID 133487864
4-fluoro-6-phenylpyrimidine
CID 599976
2-(2-methylbutan-2-yl)-5-(trifluoromethoxy)pyridine
CID 146439449
6-(trifluoromethoxy)quinazolin-4-amine
CID 156900146

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-[5-(trifluoromethoxy)-2-pyridinyl]pyrimidine?
The IUPAC name of 4-fluoro-6-[5-(trifluoromethoxy)-2-pyridinyl]pyrimidine (CID 178127406) is 4-fluoro-6-[5-(trifluoromethoxy)-2-pyridinyl]pyrimidine.
What is the SMILES notation for 4-fluoro-6-[5-(trifluoromethoxy)-2-pyridinyl]pyrimidine?
The canonical SMILES for 4-fluoro-6-[5-(trifluoromethoxy)-2-pyridinyl]pyrimidine is Fc1cc(-c2ccc(OC(F)(F)F)cn2)ncn1.
What is the InChIKey of 4-fluoro-6-[5-(trifluoromethoxy)-2-pyridinyl]pyrimidine?
The InChIKey is SPZMVUBHVYDNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F4N3O/c11-9-3-8(16-5-17-9)7-2-1-6(4-15-7)18-10(12,13)14/h1-5H.
What are the key properties of 4-fluoro-6-[5-(trifluoromethoxy)-2-pyridinyl]pyrimidine?
4-fluoro-6-[5-(trifluoromethoxy)-2-pyridinyl]pyrimidine has a molecular weight of 259.16 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-[5-(trifluoromethoxy)-2-pyridinyl]pyrimidine is sourced from PubChem (CID 178127406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).