4-[[2-(2-fluorophenyl)acetyl]amino]pyridine-2-carboxylic acid

C14H11FN2O3 — CID 63650630

IUPAC4-[[2-(2-fluorophenyl)acetyl]amino]pyridine-2-carboxylic acid
SMILESO=C(Cc1ccccc1F)Nc1ccnc(C(=O)O)c1
InChIInChI=1S/C14H11FN2O3/c15-11-4-2-1-3-9(11)7-13(18)17-10-5-6-16-12(8-10)14(19)20/h1-6,8H,7H2,(H,19,20)(H,16,17,18)
InChIKeyMRSIQJFRSVQIDQ-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.10
Rot. Bonds4

About 4-[[2-(2-fluorophenyl)acetyl]amino]pyridine-2-carboxylic acid

4-[[2-(2-fluorophenyl)acetyl]amino]pyridine-2-carboxylic acid (PubChem CID 63650630) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is 4-[[2-(2-fluorophenyl)acetyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2-fluorophenyl)acetyl]amino]pyridine-2-carboxylic acid
PubChem CID63650630
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC Name4-[[2-(2-fluorophenyl)acetyl]amino]pyridine-2-carboxylic acid
SMILESO=C(Cc1ccccc1F)Nc1ccnc(C(=O)O)c1
InChIInChI=1S/C14H11FN2O3/c15-11-4-2-1-3-9(11)7-13(18)17-10-5-6-16-12(8-10)14(19)20/h1-6,8H,7H2,(H,19,20)(H,16,17,18)
InChIKeyMRSIQJFRSVQIDQ-UHFFFAOYSA-N
XLogP2.10
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-fluorophenyl)acetyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[[2-(2-fluorophenyl)acetyl]amino]pyridine-2-carboxylic acid (CID 63650630) is 4-[[2-(2-fluorophenyl)acetyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[[2-(2-fluorophenyl)acetyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[[2-(2-fluorophenyl)acetyl]amino]pyridine-2-carboxylic acid is O=C(Cc1ccccc1F)Nc1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[[2-(2-fluorophenyl)acetyl]amino]pyridine-2-carboxylic acid?
The InChIKey is MRSIQJFRSVQIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3/c15-11-4-2-1-3-9(11)7-13(18)17-10-5-6-16-12(8-10)14(19)20/h1-6,8H,7H2,(H,19,20)(H,16,17,18).
What are the key properties of 4-[[2-(2-fluorophenyl)acetyl]amino]pyridine-2-carboxylic acid?
4-[[2-(2-fluorophenyl)acetyl]amino]pyridine-2-carboxylic acid has a molecular weight of 274.25 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-fluorophenyl)acetyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63650630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).