4-(4-fluoro-2-nitrophenyl)pyrimidine

C10H6FN3O2 — CID 164602570

IUPAC4-(4-fluoro-2-nitrophenyl)pyrimidine
SMILESO=[N+]([O-])c1cc(F)ccc1-c1ccncn1
InChIInChI=1S/C10H6FN3O2/c11-7-1-2-8(10(5-7)14(15)16)9-3-4-12-6-13-9/h1-6H
InChIKeyRBIIUGBBIUOGQL-UHFFFAOYSA-N
MW219.18 g/mol
LogP2.19
Rot. Bonds2

About 4-(4-fluoro-2-nitrophenyl)pyrimidine

4-(4-fluoro-2-nitrophenyl)pyrimidine (PubChem CID 164602570) has the molecular formula C10H6FN3O2 and a molecular weight of 219.18 g/mol. Its IUPAC name is 4-(4-fluoro-2-nitrophenyl)pyrimidine.

Molecular Properties

Compound Name4-(4-fluoro-2-nitrophenyl)pyrimidine
PubChem CID164602570
Molecular FormulaC10H6FN3O2
Molecular Weight219.18 g/mol
Exact Mass219.04
IUPAC Name4-(4-fluoro-2-nitrophenyl)pyrimidine
SMILESO=[N+]([O-])c1cc(F)ccc1-c1ccncn1
InChIInChI=1S/C10H6FN3O2/c11-7-1-2-8(10(5-7)14(15)16)9-3-4-12-6-13-9/h1-6H
InChIKeyRBIIUGBBIUOGQL-UHFFFAOYSA-N
XLogP2.19
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.18
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1,2,3,4,5-pentafluoro-6-(4-fluoro-2-nitrophenyl)benzene
CID 118826390
4-fluoro-1-(3-fluorophenyl)-2-nitrobenzene
CID 46312617
4-fluoro-1-(4-methylphenyl)-2-nitrobenzene
CID 67753587
4-(5-fluoro-2-methoxyphenyl)pyrimidine
CID 141365926
methyl 4-fluoro-2-pyrimidin-4-ylbenzoate
CID 155344019
6-(4-fluoro-2-nitrophenyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 136914259
4,5-difluoro-2-pyrimidin-4-ylbenzaldehyde
CID 89485663
4-fluoro-1-[(4-fluoro-2-nitrophenyl)disulfanyl]-2-nitrobenzene
CID 13238249
1-(3-ethoxyphenyl)-4-fluoro-2-nitrobenzene
CID 54506157
4-(2-fluoro-3-pyridinyl)pyrimidine
CID 67036363
2-fluoro-4-(4-fluoro-2-nitrophenoxy)pyridine
CID 113367335
4-(2,4-difluorophenyl)-2-nitroaniline
CID 175739959

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-nitrophenyl)pyrimidine?
The IUPAC name of 4-(4-fluoro-2-nitrophenyl)pyrimidine (CID 164602570) is 4-(4-fluoro-2-nitrophenyl)pyrimidine.
What is the SMILES notation for 4-(4-fluoro-2-nitrophenyl)pyrimidine?
The canonical SMILES for 4-(4-fluoro-2-nitrophenyl)pyrimidine is O=[N+]([O-])c1cc(F)ccc1-c1ccncn1.
What is the InChIKey of 4-(4-fluoro-2-nitrophenyl)pyrimidine?
The InChIKey is RBIIUGBBIUOGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3O2/c11-7-1-2-8(10(5-7)14(15)16)9-3-4-12-6-13-9/h1-6H.
What are the key properties of 4-(4-fluoro-2-nitrophenyl)pyrimidine?
4-(4-fluoro-2-nitrophenyl)pyrimidine has a molecular weight of 219.18 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-nitrophenyl)pyrimidine is sourced from PubChem (CID 164602570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).