2-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-4-carboxylic acid

C15H15FN2O2 — CID 62980554

IUPAC2-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-4-carboxylic acid
SMILESCC(c1ccccc1F)N(C)c1cc(C(=O)O)ccn1
InChIInChI=1S/C15H15FN2O2/c1-10(12-5-3-4-6-13(12)16)18(2)14-9-11(15(19)20)7-8-17-14/h3-10H,1-2H3,(H,19,20)
InChIKeyDNNOWBZBSNAINJ-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.12
Rot. Bonds4

About 2-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-4-carboxylic acid

2-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-4-carboxylic acid (PubChem CID 62980554) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-4-carboxylic acid
PubChem CID62980554
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name2-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-4-carboxylic acid
SMILESCC(c1ccccc1F)N(C)c1cc(C(=O)O)ccn1
InChIInChI=1S/C15H15FN2O2/c1-10(12-5-3-4-6-13(12)16)18(2)14-9-11(15(19)20)7-8-17-14/h3-10H,1-2H3,(H,19,20)
InChIKeyDNNOWBZBSNAINJ-UHFFFAOYSA-N
XLogP3.12
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-4-carboxylic acid (CID 62980554) is 2-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-4-carboxylic acid is CC(c1ccccc1F)N(C)c1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-4-carboxylic acid?
The InChIKey is DNNOWBZBSNAINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-10(12-5-3-4-6-13(12)16)18(2)14-9-11(15(19)20)7-8-17-14/h3-10H,1-2H3,(H,19,20).
What are the key properties of 2-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-4-carboxylic acid?
2-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-4-carboxylic acid has a molecular weight of 274.30 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)ethyl-methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 62980554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).