2-[(3-fluorophenyl)methylamino]pyridine-4-carboxylic acid

C13H11FN2O2 — CID 28970945

IUPAC2-[(3-fluorophenyl)methylamino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCc2cccc(F)c2)c1
InChIInChI=1S/C13H11FN2O2/c14-11-3-1-2-9(6-11)8-16-12-7-10(13(17)18)4-5-15-12/h1-7H,8H2,(H,15,16)(H,17,18)
InChIKeyYFUUKCJIHIACCK-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.53
Rot. Bonds4

About 2-[(3-fluorophenyl)methylamino]pyridine-4-carboxylic acid

2-[(3-fluorophenyl)methylamino]pyridine-4-carboxylic acid (PubChem CID 28970945) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methylamino]pyridine-4-carboxylic acid
PubChem CID28970945
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name2-[(3-fluorophenyl)methylamino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCc2cccc(F)c2)c1
InChIInChI=1S/C13H11FN2O2/c14-11-3-1-2-9(6-11)8-16-12-7-10(13(17)18)4-5-15-12/h1-7H,8H2,(H,15,16)(H,17,18)
InChIKeyYFUUKCJIHIACCK-UHFFFAOYSA-N
XLogP2.53
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(3-fluorophenyl)methylamino]pyridine-4-carboxylic acid (CID 28970945) is 2-[(3-fluorophenyl)methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(3-fluorophenyl)methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(3-fluorophenyl)methylamino]pyridine-4-carboxylic acid is O=C(O)c1ccnc(NCc2cccc(F)c2)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methylamino]pyridine-4-carboxylic acid?
The InChIKey is YFUUKCJIHIACCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-11-3-1-2-9(6-11)8-16-12-7-10(13(17)18)4-5-15-12/h1-7H,8H2,(H,15,16)(H,17,18).
What are the key properties of 2-[(3-fluorophenyl)methylamino]pyridine-4-carboxylic acid?
2-[(3-fluorophenyl)methylamino]pyridine-4-carboxylic acid has a molecular weight of 246.24 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 28970945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).