2-(2,6-difluoro-3-nitrophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

C11H7F2N3O4 — CID 79756615

IUPAC2-(2,6-difluoro-3-nitrophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(-c2c(F)ccc([N+](=O)[O-])c2F)[nH]c1=O
InChIInChI=1S/C11H7F2N3O4/c1-4-10(17)14-9(15-11(4)18)7-5(12)2-3-6(8(7)13)16(19)20/h2-3H,1H3,(H2,14,15,17,18)
InChIKeyUFUGYJJYUYDIKW-UHFFFAOYSA-N
MW283.19 g/mol
LogP1.64
Rot. Bonds2

About 2-(2,6-difluoro-3-nitrophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

2-(2,6-difluoro-3-nitrophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 79756615) has the molecular formula C11H7F2N3O4 and a molecular weight of 283.19 g/mol. Its IUPAC name is 2-(2,6-difluoro-3-nitrophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2,6-difluoro-3-nitrophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID79756615
Molecular FormulaC11H7F2N3O4
Molecular Weight283.19 g/mol
Exact Mass283.04
IUPAC Name2-(2,6-difluoro-3-nitrophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(-c2c(F)ccc([N+](=O)[O-])c2F)[nH]c1=O
InChIInChI=1S/C11H7F2N3O4/c1-4-10(17)14-9(15-11(4)18)7-5(12)2-3-6(8(7)13)16(19)20/h2-3H,1H3,(H2,14,15,17,18)
InChIKeyUFUGYJJYUYDIKW-UHFFFAOYSA-N
XLogP1.64
TPSA109.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 51.64
H-Bond Donors ≤ 52
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

2-(2,6-difluoro-3-nitrophenyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475422
2-[[5-(2,6-difluoro-3-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 79757966
5-chloro-3-(2,6-difluoro-3-nitrophenyl)-1H-1,2,4-triazole
CID 79767644
4-hydroxy-5-methyl-2-(2-methylphenyl)-1H-pyrimidin-6-one
CID 63612440
5-(2,6-difluoro-3-nitrophenyl)-4-methyl-1,2-oxazol-3-amine
CID 79768783
2-(2,6-difluoro-3-nitrophenyl)-5-iodo-1,3,4-oxadiazole
CID 114771649
7-fluoro-4-nitro-1H-benzimidazol-2-amine
CID 137286104
2-(2,6-difluoro-3-nitrophenyl)-4-(methoxymethyl)-1,3-thiazole
CID 107511895
3-fluoro-N,N,2-trimethyl-4-nitroaniline
CID 130865181
2-(2,6-difluoro-3-nitrophenyl)-5-iodo-6-methylpyrimidin-4-amine
CID 79757384
4-(2,6-difluoro-3-nitrophenyl)-1,3,5-triazin-2-amine
CID 79767338
N-[[3-(2,6-difluoro-3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 79756258

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-3-nitrophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2,6-difluoro-3-nitrophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 79756615) is 2-(2,6-difluoro-3-nitrophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2,6-difluoro-3-nitrophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2,6-difluoro-3-nitrophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is Cc1c(O)nc(-c2c(F)ccc([N+](=O)[O-])c2F)[nH]c1=O.
What is the InChIKey of 2-(2,6-difluoro-3-nitrophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is UFUGYJJYUYDIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N3O4/c1-4-10(17)14-9(15-11(4)18)7-5(12)2-3-6(8(7)13)16(19)20/h2-3H,1H3,(H2,14,15,17,18).
What are the key properties of 2-(2,6-difluoro-3-nitrophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-(2,6-difluoro-3-nitrophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 283.19 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-3-nitrophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 79756615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).