2-chloro-3-fluoro-6-nitropyridine

C5H2ClFN2O2 — CID 119018246

IUPAC2-chloro-3-fluoro-6-nitropyridine
SMILESO=[N+]([O-])c1ccc(F)c(Cl)n1
InChIInChI=1S/C5H2ClFN2O2/c6-5-3(7)1-2-4(8-5)9(10)11/h1-2H
InChIKeyOGCPMWVQYBWPSO-UHFFFAOYSA-N
MW176.53 g/mol
LogP1.78
Rot. Bonds1

About 2-chloro-3-fluoro-6-nitropyridine

2-chloro-3-fluoro-6-nitropyridine (PubChem CID 119018246) has the molecular formula C5H2ClFN2O2 and a molecular weight of 176.53 g/mol. Its IUPAC name is 2-chloro-3-fluoro-6-nitropyridine.

Molecular Properties

Compound Name2-chloro-3-fluoro-6-nitropyridine
PubChem CID119018246
Molecular FormulaC5H2ClFN2O2
Molecular Weight176.53 g/mol
Exact Mass175.98
IUPAC Name2-chloro-3-fluoro-6-nitropyridine
SMILESO=[N+]([O-])c1ccc(F)c(Cl)n1
InChIInChI=1S/C5H2ClFN2O2/c6-5-3(7)1-2-4(8-5)9(10)11/h1-2H
InChIKeyOGCPMWVQYBWPSO-UHFFFAOYSA-N
XLogP1.78
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.53
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-2-chloro-6-nitropyridine
CID 130779079
2,3-dichloro-4,6-dinitropyridine
CID 71429452
CID 170756452
CID 170756452
3-(chloromethyl)-2-(difluoromethyl)-6-nitropyridine
CID 130097914
4-chloro-2-nitropyridine
CID 2762847
methyl 3-chloro-6-nitropyridine-2-carboxylate
CID 130837719
2-(chloromethyl)-6-nitro-3-(trifluoromethyl)pyridine
CID 131500569
2-chloro-3-(difluoromethyl)-6-nitropyridin-4-amine
CID 118851730
6-nitro-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 133097281
5-(2-chloro-6-fluorophenyl)-2-nitropyridine
CID 165487980
(3-bromo-6-nitro-2-pyridinyl)methanol
CID 130772164
6-chloro-5-fluoropyridine-2-carboxamide
CID 131442964

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-6-nitropyridine?
The IUPAC name of 2-chloro-3-fluoro-6-nitropyridine (CID 119018246) is 2-chloro-3-fluoro-6-nitropyridine.
What is the SMILES notation for 2-chloro-3-fluoro-6-nitropyridine?
The canonical SMILES for 2-chloro-3-fluoro-6-nitropyridine is O=[N+]([O-])c1ccc(F)c(Cl)n1.
What is the InChIKey of 2-chloro-3-fluoro-6-nitropyridine?
The InChIKey is OGCPMWVQYBWPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClFN2O2/c6-5-3(7)1-2-4(8-5)9(10)11/h1-2H.
What are the key properties of 2-chloro-3-fluoro-6-nitropyridine?
2-chloro-3-fluoro-6-nitropyridine has a molecular weight of 176.53 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-6-nitropyridine is sourced from PubChem (CID 119018246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).