2-(4-fluoroanilino)-2-pyridin-3-ylpropanoic acid

C14H13FN2O2 — CID 60991839

IUPAC2-(4-fluoroanilino)-2-pyridin-3-ylpropanoic acid
SMILESCC(Nc1ccc(F)cc1)(C(=O)O)c1cccnc1
InChIInChI=1S/C14H13FN2O2/c1-14(13(18)19,10-3-2-8-16-9-10)17-12-6-4-11(15)5-7-12/h2-9,17H,1H3,(H,18,19)
InChIKeyUMQABXUJXPVJAA-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.63
Rot. Bonds4

About 2-(4-fluoroanilino)-2-pyridin-3-ylpropanoic acid

2-(4-fluoroanilino)-2-pyridin-3-ylpropanoic acid (PubChem CID 60991839) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-2-pyridin-3-ylpropanoic acid.

Molecular Properties

Compound Name2-(4-fluoroanilino)-2-pyridin-3-ylpropanoic acid
PubChem CID60991839
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name2-(4-fluoroanilino)-2-pyridin-3-ylpropanoic acid
SMILESCC(Nc1ccc(F)cc1)(C(=O)O)c1cccnc1
InChIInChI=1S/C14H13FN2O2/c1-14(13(18)19,10-3-2-8-16-9-10)17-12-6-4-11(15)5-7-12/h2-9,17H,1H3,(H,18,19)
InChIKeyUMQABXUJXPVJAA-UHFFFAOYSA-N
XLogP2.63
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromoanilino)-2-pyridin-3-ylpropanoic acid
CID 60993841
2-(methylamino)-2-pyridin-3-ylpropanoic acid
CID 43753628
2-(4-fluoroanilino)-2-(4-methylphenyl)propanoic acid
CID 60991842
2-(2-methylbutan-2-ylamino)-2-pyridin-3-ylpropanoic acid
CID 114990173
2-anilino-2-(3-fluorophenyl)propanoic acid
CID 60991500
2-(2-methylpropylamino)-2-pyridin-3-ylpropanoic acid
CID 61001677
2-(3-fluoroanilino)-2-(4-fluorophenyl)propanoic acid
CID 60994028
2-phenyl-2-(pyridin-3-ylcarbamoylamino)propanoic acid
CID 62487672
2-(cyclopropylmethylamino)-2-pyridin-3-ylpropanoic acid
CID 61002220
2-(3-methoxypropylamino)-2-pyridin-3-ylpropanoic acid
CID 114990589
2-(3-methylanilino)-2-pyridin-3-ylpropanamide
CID 54891651
(2S)-2-amino-2-pyridin-3-ylpropanoic acid;hydrochloride
CID 71485674

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-2-pyridin-3-ylpropanoic acid?
The IUPAC name of 2-(4-fluoroanilino)-2-pyridin-3-ylpropanoic acid (CID 60991839) is 2-(4-fluoroanilino)-2-pyridin-3-ylpropanoic acid.
What is the SMILES notation for 2-(4-fluoroanilino)-2-pyridin-3-ylpropanoic acid?
The canonical SMILES for 2-(4-fluoroanilino)-2-pyridin-3-ylpropanoic acid is CC(Nc1ccc(F)cc1)(C(=O)O)c1cccnc1.
What is the InChIKey of 2-(4-fluoroanilino)-2-pyridin-3-ylpropanoic acid?
The InChIKey is UMQABXUJXPVJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-14(13(18)19,10-3-2-8-16-9-10)17-12-6-4-11(15)5-7-12/h2-9,17H,1H3,(H,18,19).
What are the key properties of 2-(4-fluoroanilino)-2-pyridin-3-ylpropanoic acid?
2-(4-fluoroanilino)-2-pyridin-3-ylpropanoic acid has a molecular weight of 260.27 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-2-pyridin-3-ylpropanoic acid is sourced from PubChem (CID 60991839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).