3-fluoro-2-methyl-6-nitro-5-propan-2-ylpyridine

C9H11FN2O2 — CID 163691344

IUPAC3-fluoro-2-methyl-6-nitro-5-propan-2-ylpyridine
SMILESCc1nc([N+](=O)[O-])c(C(C)C)cc1F
InChIInChI=1S/C9H11FN2O2/c1-5(2)7-4-8(10)6(3)11-9(7)12(13)14/h4-5H,1-3H3
InChIKeyJTFAMARSDAMAKC-UHFFFAOYSA-N
MW198.20 g/mol
LogP2.56
Rot. Bonds2

About 3-fluoro-2-methyl-6-nitro-5-propan-2-ylpyridine

3-fluoro-2-methyl-6-nitro-5-propan-2-ylpyridine (PubChem CID 163691344) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is 3-fluoro-2-methyl-6-nitro-5-propan-2-ylpyridine.

Molecular Properties

Compound Name3-fluoro-2-methyl-6-nitro-5-propan-2-ylpyridine
PubChem CID163691344
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name3-fluoro-2-methyl-6-nitro-5-propan-2-ylpyridine
SMILESCc1nc([N+](=O)[O-])c(C(C)C)cc1F
InChIInChI=1S/C9H11FN2O2/c1-5(2)7-4-8(10)6(3)11-9(7)12(13)14/h4-5H,1-3H3
InChIKeyJTFAMARSDAMAKC-UHFFFAOYSA-N
XLogP2.56
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 52.56
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-6-nitro-5-propan-2-ylpyridine?
The IUPAC name of 3-fluoro-2-methyl-6-nitro-5-propan-2-ylpyridine (CID 163691344) is 3-fluoro-2-methyl-6-nitro-5-propan-2-ylpyridine.
What is the SMILES notation for 3-fluoro-2-methyl-6-nitro-5-propan-2-ylpyridine?
The canonical SMILES for 3-fluoro-2-methyl-6-nitro-5-propan-2-ylpyridine is Cc1nc([N+](=O)[O-])c(C(C)C)cc1F.
What is the InChIKey of 3-fluoro-2-methyl-6-nitro-5-propan-2-ylpyridine?
The InChIKey is JTFAMARSDAMAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c1-5(2)7-4-8(10)6(3)11-9(7)12(13)14/h4-5H,1-3H3.
What are the key properties of 3-fluoro-2-methyl-6-nitro-5-propan-2-ylpyridine?
3-fluoro-2-methyl-6-nitro-5-propan-2-ylpyridine has a molecular weight of 198.20 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-6-nitro-5-propan-2-ylpyridine is sourced from PubChem (CID 163691344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).