2-chloro-3-fluoro-4-methyl-5-nitropyridine

C6H4ClFN2O2 — CID 151225607

IUPAC2-chloro-3-fluoro-4-methyl-5-nitropyridine
SMILESCc1c([N+](=O)[O-])cnc(Cl)c1F
InChIInChI=1S/C6H4ClFN2O2/c1-3-4(10(11)12)2-9-6(7)5(3)8/h2H,1H3
InChIKeyNNEVPLWXUSTOBU-UHFFFAOYSA-N
MW190.56 g/mol
LogP2.09
Rot. Bonds1

About 2-chloro-3-fluoro-4-methyl-5-nitropyridine

2-chloro-3-fluoro-4-methyl-5-nitropyridine (PubChem CID 151225607) has the molecular formula C6H4ClFN2O2 and a molecular weight of 190.56 g/mol. Its IUPAC name is 2-chloro-3-fluoro-4-methyl-5-nitropyridine.

Molecular Properties

Compound Name2-chloro-3-fluoro-4-methyl-5-nitropyridine
PubChem CID151225607
Molecular FormulaC6H4ClFN2O2
Molecular Weight190.56 g/mol
Exact Mass189.99
IUPAC Name2-chloro-3-fluoro-4-methyl-5-nitropyridine
SMILESCc1c([N+](=O)[O-])cnc(Cl)c1F
InChIInChI=1S/C6H4ClFN2O2/c1-3-4(10(11)12)2-9-6(7)5(3)8/h2H,1H3
InChIKeyNNEVPLWXUSTOBU-UHFFFAOYSA-N
XLogP2.09
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.56
LogP ≤ 52.09
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

2-chloro-3-methyl-5-nitro-4-(trifluoromethoxy)pyridine
CID 119001829
2-chloro-5-fluoro-3-nitropyridine
CID 10773626
2-chloro-5-methyl-3-nitropyridine
CID 139082293
2-bromo-3-(difluoromethyl)-4-methyl-5-nitropyridine
CID 118998930
4,5,7-trichloro-6-fluoro-3-nitroquinoline
CID 107577340
3,4-difluoro-2-methoxy-5-nitropyridine
CID 174616976
8-bromo-4-methyl-3-nitroquinoline
CID 131886009
2-chloro-5-(fluoromethyl)-3-nitropyridine
CID 174286829
2,7-dimethyl-6-nitro-[1,3]thiazolo[5,4-b]pyridine
CID 145450780
4-methyl-5-nitro-2-(trifluoromethyl)pyridine
CID 53414275
3-chloro-1-fluoro-2-methyl-4-nitrobenzene
CID 13251509
4-chloro-3-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine
CID 126970309

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-4-methyl-5-nitropyridine?
The IUPAC name of 2-chloro-3-fluoro-4-methyl-5-nitropyridine (CID 151225607) is 2-chloro-3-fluoro-4-methyl-5-nitropyridine.
What is the SMILES notation for 2-chloro-3-fluoro-4-methyl-5-nitropyridine?
The canonical SMILES for 2-chloro-3-fluoro-4-methyl-5-nitropyridine is Cc1c([N+](=O)[O-])cnc(Cl)c1F.
What is the InChIKey of 2-chloro-3-fluoro-4-methyl-5-nitropyridine?
The InChIKey is NNEVPLWXUSTOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClFN2O2/c1-3-4(10(11)12)2-9-6(7)5(3)8/h2H,1H3.
What are the key properties of 2-chloro-3-fluoro-4-methyl-5-nitropyridine?
2-chloro-3-fluoro-4-methyl-5-nitropyridine has a molecular weight of 190.56 g/mol, XLogP of 2.09, 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-4-methyl-5-nitropyridine is sourced from PubChem (CID 151225607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).