2-fluoro-6-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid

C15H15FN2O2 — CID 79522521

IUPAC2-fluoro-6-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
SMILESCN(CCc1ccccn1)c1cccc(F)c1C(=O)O
InChIInChI=1S/C15H15FN2O2/c1-18(10-8-11-5-2-3-9-17-11)13-7-4-6-12(16)14(13)15(19)20/h2-7,9H,8,10H2,1H3,(H,19,20)
InChIKeyWTJKNKHLTAPZJC-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.60
Rot. Bonds5

About 2-fluoro-6-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid

2-fluoro-6-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid (PubChem CID 79522521) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-fluoro-6-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
PubChem CID79522521
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name2-fluoro-6-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
SMILESCN(CCc1ccccn1)c1cccc(F)c1C(=O)O
InChIInChI=1S/C15H15FN2O2/c1-18(10-8-11-5-2-3-9-17-11)13-7-4-6-12(16)14(13)15(19)20/h2-7,9H,8,10H2,1H3,(H,19,20)
InChIKeyWTJKNKHLTAPZJC-UHFFFAOYSA-N
XLogP2.60
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-[methyl(3,3,3-trifluoropropyl)amino]benzoic acid
CID 79512136
1-(2,6-difluorophenyl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 62051422
3-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
CID 102822634
3-bromo-4-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
CID 82800570
5,6-dimethyl-3-[methyl(2-pyridin-2-ylethyl)amino]pyridazine-4-carboxylic acid
CID 62702160
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
3,5-difluoro-1-N-methyl-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 115506438
2-fluoro-6-[methyl(1,3-thiazol-4-ylmethyl)amino]benzoic acid
CID 79522285
2-fluoro-6-(3-pyridin-2-ylpropanoylamino)benzoic acid
CID 114289600
2-chloro-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide
CID 62502784
2-chloro-N'-hydroxy-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide
CID 76945369
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid?
The IUPAC name of 2-fluoro-6-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid (CID 79522521) is 2-fluoro-6-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid.
What is the SMILES notation for 2-fluoro-6-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid?
The canonical SMILES for 2-fluoro-6-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid is CN(CCc1ccccn1)c1cccc(F)c1C(=O)O.
What is the InChIKey of 2-fluoro-6-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid?
The InChIKey is WTJKNKHLTAPZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-18(10-8-11-5-2-3-9-17-11)13-7-4-6-12(16)14(13)15(19)20/h2-7,9H,8,10H2,1H3,(H,19,20).
What are the key properties of 2-fluoro-6-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid?
2-fluoro-6-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid has a molecular weight of 274.30 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid is sourced from PubChem (CID 79522521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).