2-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluoropyrimidine

C12H11ClFN3O — CID 103174579

IUPAC2-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluoropyrimidine
SMILESCCc1nc(C)ccc1Oc1nc(Cl)ncc1F
InChIInChI=1S/C12H11ClFN3O/c1-3-9-10(5-4-7(2)16-9)18-11-8(14)6-15-12(13)17-11/h4-6H,3H2,1-2H3
InChIKeyBVVAKDSUJUSCAV-UHFFFAOYSA-N
MW267.69 g/mol
LogP3.33
Rot. Bonds3

About 2-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluoropyrimidine

2-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluoropyrimidine (PubChem CID 103174579) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is 2-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluoropyrimidine.

Molecular Properties

Compound Name2-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluoropyrimidine
PubChem CID103174579
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC Name2-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluoropyrimidine
SMILESCCc1nc(C)ccc1Oc1nc(Cl)ncc1F
InChIInChI=1S/C12H11ClFN3O/c1-3-9-10(5-4-7(2)16-9)18-11-8(14)6-15-12(13)17-11/h4-6H,3H2,1-2H3
InChIKeyBVVAKDSUJUSCAV-UHFFFAOYSA-N
XLogP3.33
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dichloro-5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1,2,4-triazine
CID 103174589
2,4-dichloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1,3,5-triazine
CID 103174578
2-chloro-4-(4-ethoxyphenoxy)-5-fluoropyrimidine
CID 79081907
2-chloro-4-(3-ethylphenoxy)-5-fluoropyrimidine
CID 79081904
3-[2-(chloromethyl)-3-fluorophenoxy]-2-ethyl-6-methylpyridine
CID 114065574
3-[4-(chloromethyl)-2,6-difluorophenoxy]-2-ethyl-6-methylpyridine
CID 103175217
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2,3,5,6-tetrafluoropyridine
CID 103174614
3-[(6-chloro-2-pyridinyl)oxy]-2-ethyl-6-methylpyridine
CID 103174660
3-[5-chloro-2-(chloromethyl)phenoxy]-2-ethyl-6-methylpyridine
CID 103175228
2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-(trifluoromethyl)pyridine
CID 103174626
5-bromo-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyridin-3-amine
CID 103174438
4-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)pyrimidine
CID 106766872

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluoropyrimidine?
The IUPAC name of 2-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluoropyrimidine (CID 103174579) is 2-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluoropyrimidine.
What is the SMILES notation for 2-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluoropyrimidine?
The canonical SMILES for 2-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluoropyrimidine is CCc1nc(C)ccc1Oc1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluoropyrimidine?
The InChIKey is BVVAKDSUJUSCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c1-3-9-10(5-4-7(2)16-9)18-11-8(14)6-15-12(13)17-11/h4-6H,3H2,1-2H3.
What are the key properties of 2-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluoropyrimidine?
2-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluoropyrimidine has a molecular weight of 267.69 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluoropyrimidine is sourced from PubChem (CID 103174579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).