6-(5-bromo-2-fluorophenyl)-2-propylpyridine-3-carboxylic acid

C15H13BrFNO2 — CID 116533195

IUPAC6-(5-bromo-2-fluorophenyl)-2-propylpyridine-3-carboxylic acid
SMILESCCCc1nc(-c2cc(Br)ccc2F)ccc1C(=O)O
InChIInChI=1S/C15H13BrFNO2/c1-2-3-13-10(15(19)20)5-7-14(18-13)11-8-9(16)4-6-12(11)17/h4-8H,2-3H2,1H3,(H,19,20)
InChIKeyDJOOVJDFUOEOTD-UHFFFAOYSA-N
MW338.18 g/mol
LogP4.30
Rot. Bonds4

About 6-(5-bromo-2-fluorophenyl)-2-propylpyridine-3-carboxylic acid

6-(5-bromo-2-fluorophenyl)-2-propylpyridine-3-carboxylic acid (PubChem CID 116533195) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is 6-(5-bromo-2-fluorophenyl)-2-propylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(5-bromo-2-fluorophenyl)-2-propylpyridine-3-carboxylic acid
PubChem CID116533195
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC Name6-(5-bromo-2-fluorophenyl)-2-propylpyridine-3-carboxylic acid
SMILESCCCc1nc(-c2cc(Br)ccc2F)ccc1C(=O)O
InChIInChI=1S/C15H13BrFNO2/c1-2-3-13-10(15(19)20)5-7-14(18-13)11-8-9(16)4-6-12(11)17/h4-8H,2-3H2,1H3,(H,19,20)
InChIKeyDJOOVJDFUOEOTD-UHFFFAOYSA-N
XLogP4.30
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-fluorophenyl)-2-propylpyridine-3-carboxylic acid?
The IUPAC name of 6-(5-bromo-2-fluorophenyl)-2-propylpyridine-3-carboxylic acid (CID 116533195) is 6-(5-bromo-2-fluorophenyl)-2-propylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(5-bromo-2-fluorophenyl)-2-propylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(5-bromo-2-fluorophenyl)-2-propylpyridine-3-carboxylic acid is CCCc1nc(-c2cc(Br)ccc2F)ccc1C(=O)O.
What is the InChIKey of 6-(5-bromo-2-fluorophenyl)-2-propylpyridine-3-carboxylic acid?
The InChIKey is DJOOVJDFUOEOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c1-2-3-13-10(15(19)20)5-7-14(18-13)11-8-9(16)4-6-12(11)17/h4-8H,2-3H2,1H3,(H,19,20).
What are the key properties of 6-(5-bromo-2-fluorophenyl)-2-propylpyridine-3-carboxylic acid?
6-(5-bromo-2-fluorophenyl)-2-propylpyridine-3-carboxylic acid has a molecular weight of 338.18 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-fluorophenyl)-2-propylpyridine-3-carboxylic acid is sourced from PubChem (CID 116533195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).