4-fluoro-6-(2-nitrophenyl)sulfanylpyrimidine

C10H6FN3O2S — CID 115417324

IUPAC4-fluoro-6-(2-nitrophenyl)sulfanylpyrimidine
SMILESO=[N+]([O-])c1ccccc1Sc1cc(F)ncn1
InChIInChI=1S/C10H6FN3O2S/c11-9-5-10(13-6-12-9)17-8-4-2-1-3-7(8)14(15)16/h1-6H
InChIKeyJUWWJBLFFKNBOS-UHFFFAOYSA-N
MW251.24 g/mol
LogP2.68
Rot. Bonds3

About 4-fluoro-6-(2-nitrophenyl)sulfanylpyrimidine

4-fluoro-6-(2-nitrophenyl)sulfanylpyrimidine (PubChem CID 115417324) has the molecular formula C10H6FN3O2S and a molecular weight of 251.24 g/mol. Its IUPAC name is 4-fluoro-6-(2-nitrophenyl)sulfanylpyrimidine.

Molecular Properties

Compound Name4-fluoro-6-(2-nitrophenyl)sulfanylpyrimidine
PubChem CID115417324
Molecular FormulaC10H6FN3O2S
Molecular Weight251.24 g/mol
Exact Mass251.02
IUPAC Name4-fluoro-6-(2-nitrophenyl)sulfanylpyrimidine
SMILESO=[N+]([O-])c1ccccc1Sc1cc(F)ncn1
InChIInChI=1S/C10H6FN3O2S/c11-9-5-10(13-6-12-9)17-8-4-2-1-3-7(8)14(15)16/h1-6H
InChIKeyJUWWJBLFFKNBOS-UHFFFAOYSA-N
XLogP2.68
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 52.68
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-fluoro-6-(2-methoxyphenyl)sulfanylpyrimidine
CID 115417343
5-bromo-6-(2-nitrophenyl)sulfanylpyrimidin-4-amine
CID 114073819
1-fluoro-2-nitro-3-(2-nitrophenyl)sulfanylbenzene
CID 62690853
N,5-dimethyl-6-(2-nitrophenyl)sulfanylpyrimidin-4-amine
CID 80884707
4-(2-nitrophenyl)sulfanylthieno[2,3-d]pyrimidine
CID 9110657
4-chloro-6-(2-nitrophenyl)sulfanyl-5-propan-2-ylpyrimidine
CID 63731231
2-chloro-4-methyl-6-(2-nitrophenyl)sulfanylpyrimidine
CID 62480994
(1R)-1-[3-fluoro-4-(2-nitrophenyl)sulfanylphenyl]ethanamine
CID 63370294
(1R)-1-[5-fluoro-2-(2-nitrophenyl)sulfanylphenyl]ethanamine
CID 63370307
6-(2-nitrophenyl)sulfanylpyridine-2-carbonitrile
CID 64595786
3-chloro-4-(2-nitrophenyl)sulfanyl-1,2,5-thiadiazole
CID 43808370
1-(difluoromethylsulfanyl)-2-nitrobenzene
CID 131851739

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(2-nitrophenyl)sulfanylpyrimidine?
The IUPAC name of 4-fluoro-6-(2-nitrophenyl)sulfanylpyrimidine (CID 115417324) is 4-fluoro-6-(2-nitrophenyl)sulfanylpyrimidine.
What is the SMILES notation for 4-fluoro-6-(2-nitrophenyl)sulfanylpyrimidine?
The canonical SMILES for 4-fluoro-6-(2-nitrophenyl)sulfanylpyrimidine is O=[N+]([O-])c1ccccc1Sc1cc(F)ncn1.
What is the InChIKey of 4-fluoro-6-(2-nitrophenyl)sulfanylpyrimidine?
The InChIKey is JUWWJBLFFKNBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3O2S/c11-9-5-10(13-6-12-9)17-8-4-2-1-3-7(8)14(15)16/h1-6H.
What are the key properties of 4-fluoro-6-(2-nitrophenyl)sulfanylpyrimidine?
4-fluoro-6-(2-nitrophenyl)sulfanylpyrimidine has a molecular weight of 251.24 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(2-nitrophenyl)sulfanylpyrimidine is sourced from PubChem (CID 115417324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).