2-(2-fluoro-6-nitrophenoxy)-6-methylpyrimidine-4-carbonitrile

C12H7FN4O3 — CID 107546052

IUPAC2-(2-fluoro-6-nitrophenoxy)-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(Oc2c(F)cccc2[N+](=O)[O-])n1
InChIInChI=1S/C12H7FN4O3/c1-7-5-8(6-14)16-12(15-7)20-11-9(13)3-2-4-10(11)17(18)19/h2-5H,1H3
InChIKeyWYROZDVYQLMYBA-UHFFFAOYSA-N
MW274.21 g/mol
LogP2.50
Rot. Bonds3

About 2-(2-fluoro-6-nitrophenoxy)-6-methylpyrimidine-4-carbonitrile

2-(2-fluoro-6-nitrophenoxy)-6-methylpyrimidine-4-carbonitrile (PubChem CID 107546052) has the molecular formula C12H7FN4O3 and a molecular weight of 274.21 g/mol. Its IUPAC name is 2-(2-fluoro-6-nitrophenoxy)-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-fluoro-6-nitrophenoxy)-6-methylpyrimidine-4-carbonitrile
PubChem CID107546052
Molecular FormulaC12H7FN4O3
Molecular Weight274.21 g/mol
Exact Mass274.05
IUPAC Name2-(2-fluoro-6-nitrophenoxy)-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(Oc2c(F)cccc2[N+](=O)[O-])n1
InChIInChI=1S/C12H7FN4O3/c1-7-5-8(6-14)16-12(15-7)20-11-9(13)3-2-4-10(11)17(18)19/h2-5H,1H3
InChIKeyWYROZDVYQLMYBA-UHFFFAOYSA-N
XLogP2.50
TPSA101.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

2-(2-fluoro-4-nitrophenoxy)-6-methylpyrimidine-4-carbonitrile
CID 107545863
2-(5-methoxy-2-nitrophenoxy)-6-methylpyrimidine-4-carbonitrile
CID 107546076
6-bromo-2-(2-fluoro-6-nitrophenoxy)pyrimidin-4-amine
CID 116798026
2-(2-fluoro-6-nitrophenoxy)-4-methylpyridine-3-carbonitrile
CID 104831698
2-(2-fluoro-6-nitrophenoxy)pyrimidine-5-carbaldehyde
CID 104831877
3-chloro-4-(2-fluoro-6-nitrophenoxy)benzonitrile
CID 104831691
2,3,5-trichloro-6-(2-fluoro-6-nitrophenoxy)pyridine
CID 102749797
5-(bromomethyl)-2-(2-fluoro-6-nitrophenoxy)pyrimidine
CID 107089177
3-fluoro-4-[(2-fluoro-6-nitrophenoxy)methyl]benzonitrile
CID 104831710
1-(2-fluoro-6-nitrophenoxy)-2-methylpropan-2-ol
CID 104832228
3,5-dichloro-6-(2-fluoro-6-nitrophenoxy)-N-methylpyridin-2-amine
CID 102761161
2-(2-fluoro-6-nitrophenoxy)benzaldehyde
CID 104831883

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-nitrophenoxy)-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-(2-fluoro-6-nitrophenoxy)-6-methylpyrimidine-4-carbonitrile (CID 107546052) is 2-(2-fluoro-6-nitrophenoxy)-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(2-fluoro-6-nitrophenoxy)-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-(2-fluoro-6-nitrophenoxy)-6-methylpyrimidine-4-carbonitrile is Cc1cc(C#N)nc(Oc2c(F)cccc2[N+](=O)[O-])n1.
What is the InChIKey of 2-(2-fluoro-6-nitrophenoxy)-6-methylpyrimidine-4-carbonitrile?
The InChIKey is WYROZDVYQLMYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN4O3/c1-7-5-8(6-14)16-12(15-7)20-11-9(13)3-2-4-10(11)17(18)19/h2-5H,1H3.
What are the key properties of 2-(2-fluoro-6-nitrophenoxy)-6-methylpyrimidine-4-carbonitrile?
2-(2-fluoro-6-nitrophenoxy)-6-methylpyrimidine-4-carbonitrile has a molecular weight of 274.21 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-nitrophenoxy)-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107546052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).