5-chloro-2-(2-fluoro-6-methyl-4-nitrophenoxy)pyrimidine

C11H7ClFN3O3 — CID 168937911

IUPAC5-chloro-2-(2-fluoro-6-methyl-4-nitrophenoxy)pyrimidine
SMILESCc1cc([N+](=O)[O-])cc(F)c1Oc1ncc(Cl)cn1
InChIInChI=1S/C11H7ClFN3O3/c1-6-2-8(16(17)18)3-9(13)10(6)19-11-14-4-7(12)5-15-11/h2-5H,1H3
InChIKeyUPNPGXZKAKCHIK-UHFFFAOYSA-N
MW283.65 g/mol
LogP3.28
Rot. Bonds3

About 5-chloro-2-(2-fluoro-6-methyl-4-nitrophenoxy)pyrimidine

5-chloro-2-(2-fluoro-6-methyl-4-nitrophenoxy)pyrimidine (PubChem CID 168937911) has the molecular formula C11H7ClFN3O3 and a molecular weight of 283.65 g/mol. Its IUPAC name is 5-chloro-2-(2-fluoro-6-methyl-4-nitrophenoxy)pyrimidine.

Molecular Properties

Compound Name5-chloro-2-(2-fluoro-6-methyl-4-nitrophenoxy)pyrimidine
PubChem CID168937911
Molecular FormulaC11H7ClFN3O3
Molecular Weight283.65 g/mol
Exact Mass283.02
IUPAC Name5-chloro-2-(2-fluoro-6-methyl-4-nitrophenoxy)pyrimidine
SMILESCc1cc([N+](=O)[O-])cc(F)c1Oc1ncc(Cl)cn1
InChIInChI=1S/C11H7ClFN3O3/c1-6-2-8(16(17)18)3-9(13)10(6)19-11-14-4-7(12)5-15-11/h2-5H,1H3
InChIKeyUPNPGXZKAKCHIK-UHFFFAOYSA-N
XLogP3.28
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.65
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(5-chloropyrimidin-2-yl)oxy-3-fluoro-5-methylaniline
CID 168937901
1-fluoro-2-methoxy-3-methyl-5-nitrobenzene
CID 131014124
5-chloro-2-(2,6-dichloro-4-nitrophenoxy)-3-fluoropyridine
CID 79733335
5-chloro-3-fluoro-2-(2-methyl-5-nitrophenoxy)pyridine
CID 79733934
1,3-difluoro-2-methoxy-5-nitrobenzene
CID 605060
2-fluoro-6-methyl-4-nitrobenzaldehyde
CID 131125676
2-ethoxy-1,3-dimethyl-5-nitrobenzene
CID 13343824
1-chloro-2-fluoro-3-methyl-5-nitrobenzene
CID 86042359
5-chloro-2-(2-methyl-5-nitrophenoxy)pyridine
CID 66233897
1-chloro-3-methyl-5-nitro-2-(2,2,2-trifluoroethoxy)benzene
CID 174254443
5-chloro-3-fluoro-2-(4-nitrophenoxy)pyridine
CID 79728734
2-chloro-4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyridine
CID 83269017

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-fluoro-6-methyl-4-nitrophenoxy)pyrimidine?
The IUPAC name of 5-chloro-2-(2-fluoro-6-methyl-4-nitrophenoxy)pyrimidine (CID 168937911) is 5-chloro-2-(2-fluoro-6-methyl-4-nitrophenoxy)pyrimidine.
What is the SMILES notation for 5-chloro-2-(2-fluoro-6-methyl-4-nitrophenoxy)pyrimidine?
The canonical SMILES for 5-chloro-2-(2-fluoro-6-methyl-4-nitrophenoxy)pyrimidine is Cc1cc([N+](=O)[O-])cc(F)c1Oc1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-2-(2-fluoro-6-methyl-4-nitrophenoxy)pyrimidine?
The InChIKey is UPNPGXZKAKCHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN3O3/c1-6-2-8(16(17)18)3-9(13)10(6)19-11-14-4-7(12)5-15-11/h2-5H,1H3.
What are the key properties of 5-chloro-2-(2-fluoro-6-methyl-4-nitrophenoxy)pyrimidine?
5-chloro-2-(2-fluoro-6-methyl-4-nitrophenoxy)pyrimidine has a molecular weight of 283.65 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-fluoro-6-methyl-4-nitrophenoxy)pyrimidine is sourced from PubChem (CID 168937911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).