5-[(3-fluoro-4-methoxyphenyl)methylamino]pyridine-2-carboxylic acid

C14H13FN2O3 — CID 12640178

IUPAC5-[(3-fluoro-4-methoxyphenyl)methylamino]pyridine-2-carboxylic acid
SMILESCOc1ccc(CNc2ccc(C(=O)O)nc2)cc1F
InChIInChI=1S/C14H13FN2O3/c1-20-13-5-2-9(6-11(13)15)7-16-10-3-4-12(14(18)19)17-8-10/h2-6,8,16H,7H2,1H3,(H,18,19)
InChIKeyZSQUYKNWKANASB-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.54
Rot. Bonds5

About 5-[(3-fluoro-4-methoxyphenyl)methylamino]pyridine-2-carboxylic acid

5-[(3-fluoro-4-methoxyphenyl)methylamino]pyridine-2-carboxylic acid (PubChem CID 12640178) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is 5-[(3-fluoro-4-methoxyphenyl)methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-fluoro-4-methoxyphenyl)methylamino]pyridine-2-carboxylic acid
PubChem CID12640178
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name5-[(3-fluoro-4-methoxyphenyl)methylamino]pyridine-2-carboxylic acid
SMILESCOc1ccc(CNc2ccc(C(=O)O)nc2)cc1F
InChIInChI=1S/C14H13FN2O3/c1-20-13-5-2-9(6-11(13)15)7-16-10-3-4-12(14(18)19)17-8-10/h2-6,8,16H,7H2,1H3,(H,18,19)
InChIKeyZSQUYKNWKANASB-UHFFFAOYSA-N
XLogP2.54
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-4-methoxyphenyl)methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(3-fluoro-4-methoxyphenyl)methylamino]pyridine-2-carboxylic acid (CID 12640178) is 5-[(3-fluoro-4-methoxyphenyl)methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(3-fluoro-4-methoxyphenyl)methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(3-fluoro-4-methoxyphenyl)methylamino]pyridine-2-carboxylic acid is COc1ccc(CNc2ccc(C(=O)O)nc2)cc1F.
What is the InChIKey of 5-[(3-fluoro-4-methoxyphenyl)methylamino]pyridine-2-carboxylic acid?
The InChIKey is ZSQUYKNWKANASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-20-13-5-2-9(6-11(13)15)7-16-10-3-4-12(14(18)19)17-8-10/h2-6,8,16H,7H2,1H3,(H,18,19).
What are the key properties of 5-[(3-fluoro-4-methoxyphenyl)methylamino]pyridine-2-carboxylic acid?
5-[(3-fluoro-4-methoxyphenyl)methylamino]pyridine-2-carboxylic acid has a molecular weight of 276.27 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-4-methoxyphenyl)methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 12640178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).