4-chloro-5-nitro-2-(1,1,2,2,2-pentafluoroethyl)pyridine

C7H2ClF5N2O2 — CID 86811579

IUPAC4-chloro-5-nitro-2-(1,1,2,2,2-pentafluoroethyl)pyridine
SMILESO=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1Cl
InChIInChI=1S/C7H2ClF5N2O2/c8-3-1-5(6(9,10)7(11,12)13)14-2-4(3)15(16)17/h1-2H
InChIKeyLFTFJADDBFHMQF-UHFFFAOYSA-N
MW276.55 g/mol
LogP3.30
Rot. Bonds2

About 4-chloro-5-nitro-2-(1,1,2,2,2-pentafluoroethyl)pyridine

4-chloro-5-nitro-2-(1,1,2,2,2-pentafluoroethyl)pyridine (PubChem CID 86811579) has the molecular formula C7H2ClF5N2O2 and a molecular weight of 276.55 g/mol. Its IUPAC name is 4-chloro-5-nitro-2-(1,1,2,2,2-pentafluoroethyl)pyridine.

Molecular Properties

Compound Name4-chloro-5-nitro-2-(1,1,2,2,2-pentafluoroethyl)pyridine
PubChem CID86811579
Molecular FormulaC7H2ClF5N2O2
Molecular Weight276.55 g/mol
Exact Mass275.97
IUPAC Name4-chloro-5-nitro-2-(1,1,2,2,2-pentafluoroethyl)pyridine
SMILESO=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1Cl
InChIInChI=1S/C7H2ClF5N2O2/c8-3-1-5(6(9,10)7(11,12)13)14-2-4(3)15(16)17/h1-2H
InChIKeyLFTFJADDBFHMQF-UHFFFAOYSA-N
XLogP3.30
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.55
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-5-nitro-2-(trifluoromethyl)pyridine
CID 53414275
5-iodo-4-nitro-2-(trifluoromethyl)pyridine
CID 130782981
methyl 4-chloro-5-nitropyridine-2-carboxylate
CID 130849623
1,4-dichloro-2-nitro-5-(1,1,2,2,2-pentafluoroethoxy)benzene
CID 23052546
4,5,7-trichloro-6-fluoro-3-nitroquinoline
CID 107577340
1-chloro-4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]sulfonyl-2-nitrobenzene
CID 2909341
1-chloro-4-methyl-2-nitro-5-(trifluoromethyl)benzene
CID 91757389
2-chloro-5-fluoro-3-nitropyridine
CID 10773626
N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)propyl]-5-nitro-2-(1,1,2,2,2-pentafluoroethyl)pyridin-4-amine
CID 100758490
4-chloro-2-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine
CID 134661128
2-chloro-3-nitro-5-(trifluoromethyl)pyridine;phosphoryl trichloride
CID 158145766
3-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]oxy]propan-1-amine
CID 106750124

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-nitro-2-(1,1,2,2,2-pentafluoroethyl)pyridine?
The IUPAC name of 4-chloro-5-nitro-2-(1,1,2,2,2-pentafluoroethyl)pyridine (CID 86811579) is 4-chloro-5-nitro-2-(1,1,2,2,2-pentafluoroethyl)pyridine.
What is the SMILES notation for 4-chloro-5-nitro-2-(1,1,2,2,2-pentafluoroethyl)pyridine?
The canonical SMILES for 4-chloro-5-nitro-2-(1,1,2,2,2-pentafluoroethyl)pyridine is O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1Cl.
What is the InChIKey of 4-chloro-5-nitro-2-(1,1,2,2,2-pentafluoroethyl)pyridine?
The InChIKey is LFTFJADDBFHMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF5N2O2/c8-3-1-5(6(9,10)7(11,12)13)14-2-4(3)15(16)17/h1-2H.
What are the key properties of 4-chloro-5-nitro-2-(1,1,2,2,2-pentafluoroethyl)pyridine?
4-chloro-5-nitro-2-(1,1,2,2,2-pentafluoroethyl)pyridine has a molecular weight of 276.55 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-nitro-2-(1,1,2,2,2-pentafluoroethyl)pyridine is sourced from PubChem (CID 86811579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).