2-[4-(3-fluoropropyl)phenyl]-5-methyl-3-nitropyridine

C15H15FN2O2 — CID 71059729

IUPAC2-[4-(3-fluoropropyl)phenyl]-5-methyl-3-nitropyridine
SMILESCc1cnc(-c2ccc(CCCF)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H15FN2O2/c1-11-9-14(18(19)20)15(17-10-11)13-6-4-12(5-7-13)3-2-8-16/h4-7,9-10H,2-3,8H2,1H3
InChIKeyIMCWHSGFGYVZIC-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.87
Rot. Bonds5

About 2-[4-(3-fluoropropyl)phenyl]-5-methyl-3-nitropyridine

2-[4-(3-fluoropropyl)phenyl]-5-methyl-3-nitropyridine (PubChem CID 71059729) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-[4-(3-fluoropropyl)phenyl]-5-methyl-3-nitropyridine.

Molecular Properties

Compound Name2-[4-(3-fluoropropyl)phenyl]-5-methyl-3-nitropyridine
PubChem CID71059729
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name2-[4-(3-fluoropropyl)phenyl]-5-methyl-3-nitropyridine
SMILESCc1cnc(-c2ccc(CCCF)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H15FN2O2/c1-11-9-14(18(19)20)15(17-10-11)13-6-4-12(5-7-13)3-2-8-16/h4-7,9-10H,2-3,8H2,1H3
InChIKeyIMCWHSGFGYVZIC-UHFFFAOYSA-N
XLogP3.87
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.87
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 2-[4-(3-fluoropropyl)phenyl]-5-methyl-3-nitropyridine?
The IUPAC name of 2-[4-(3-fluoropropyl)phenyl]-5-methyl-3-nitropyridine (CID 71059729) is 2-[4-(3-fluoropropyl)phenyl]-5-methyl-3-nitropyridine.
What is the SMILES notation for 2-[4-(3-fluoropropyl)phenyl]-5-methyl-3-nitropyridine?
The canonical SMILES for 2-[4-(3-fluoropropyl)phenyl]-5-methyl-3-nitropyridine is Cc1cnc(-c2ccc(CCCF)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[4-(3-fluoropropyl)phenyl]-5-methyl-3-nitropyridine?
The InChIKey is IMCWHSGFGYVZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-11-9-14(18(19)20)15(17-10-11)13-6-4-12(5-7-13)3-2-8-16/h4-7,9-10H,2-3,8H2,1H3.
What are the key properties of 2-[4-(3-fluoropropyl)phenyl]-5-methyl-3-nitropyridine?
2-[4-(3-fluoropropyl)phenyl]-5-methyl-3-nitropyridine has a molecular weight of 274.30 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoropropyl)phenyl]-5-methyl-3-nitropyridine is sourced from PubChem (CID 71059729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).