4-chloro-6-(2,4-difluoro-5-nitrophenyl)pyrimidine

C10H4ClF2N3O2 — CID 24902220

IUPAC4-chloro-6-(2,4-difluoro-5-nitrophenyl)pyrimidine
SMILESO=[N+]([O-])c1cc(-c2cc(Cl)ncn2)c(F)cc1F
InChIInChI=1S/C10H4ClF2N3O2/c11-10-3-8(14-4-15-10)5-1-9(16(17)18)7(13)2-6(5)12/h1-4H
InChIKeyXKJROOKMBKVKEB-UHFFFAOYSA-N
MW271.61 g/mol
LogP2.98
Rot. Bonds2

About 4-chloro-6-(2,4-difluoro-5-nitrophenyl)pyrimidine

4-chloro-6-(2,4-difluoro-5-nitrophenyl)pyrimidine (PubChem CID 24902220) has the molecular formula C10H4ClF2N3O2 and a molecular weight of 271.61 g/mol. Its IUPAC name is 4-chloro-6-(2,4-difluoro-5-nitrophenyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,4-difluoro-5-nitrophenyl)pyrimidine
PubChem CID24902220
Molecular FormulaC10H4ClF2N3O2
Molecular Weight271.61 g/mol
Exact Mass271.00
IUPAC Name4-chloro-6-(2,4-difluoro-5-nitrophenyl)pyrimidine
SMILESO=[N+]([O-])c1cc(-c2cc(Cl)ncn2)c(F)cc1F
InChIInChI=1S/C10H4ClF2N3O2/c11-10-3-8(14-4-15-10)5-1-9(16(17)18)7(13)2-6(5)12/h1-4H
InChIKeyXKJROOKMBKVKEB-UHFFFAOYSA-N
XLogP2.98
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.61
LogP ≤ 52.98
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

4-chloro-7-fluoro-6-nitroquinazoline;hydrochloride
CID 87727435
4-(2,4-difluoro-5-nitrophenyl)-2-methyl-1,3-thiazole
CID 10988876
1,4-difluoro-2,5-dinitrobenzene
CID 14951568
5-(2,4-difluoro-5-nitrophenyl)-1H-pyrimidin-6-one
CID 122358515
4-chloro-6-(1-methyl-3-nitropyrazol-5-yl)pyrimidine
CID 172581414
2,4-difluoro-5-nitrobenzenethiol
CID 90220196
2-chloro-5-iodo-4-nitropyridine
CID 131211540
(2,4-difluoro-5-nitrophenyl)methanol
CID 43753541
1-(2,5-difluoro-4-nitrophenyl)-2,3,4,5,6-pentafluorobenzene
CID 118815275
2,4-dichloro-3-fluoro-1,5-dinitrobenzene
CID 86775443
1-fluoro-5-(5-fluoro-2,4-dinitrophenoxy)-2,4-dinitrobenzene
CID 88688224
4-chloro-6-(4-chloro-2-methylphenyl)pyrimidine
CID 24902067

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,4-difluoro-5-nitrophenyl)pyrimidine?
The IUPAC name of 4-chloro-6-(2,4-difluoro-5-nitrophenyl)pyrimidine (CID 24902220) is 4-chloro-6-(2,4-difluoro-5-nitrophenyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(2,4-difluoro-5-nitrophenyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(2,4-difluoro-5-nitrophenyl)pyrimidine is O=[N+]([O-])c1cc(-c2cc(Cl)ncn2)c(F)cc1F.
What is the InChIKey of 4-chloro-6-(2,4-difluoro-5-nitrophenyl)pyrimidine?
The InChIKey is XKJROOKMBKVKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClF2N3O2/c11-10-3-8(14-4-15-10)5-1-9(16(17)18)7(13)2-6(5)12/h1-4H.
What are the key properties of 4-chloro-6-(2,4-difluoro-5-nitrophenyl)pyrimidine?
4-chloro-6-(2,4-difluoro-5-nitrophenyl)pyrimidine has a molecular weight of 271.61 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,4-difluoro-5-nitrophenyl)pyrimidine is sourced from PubChem (CID 24902220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).