6-[[(3-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid

C14H13FN2O2 — CID 106904432

IUPAC6-[[(3-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(CNCc2cccc(F)c2)n1
InChIInChI=1S/C14H13FN2O2/c15-11-4-1-3-10(7-11)8-16-9-12-5-2-6-13(17-12)14(18)19/h1-7,16H,8-9H2,(H,18,19)
InChIKeyBISFHPXMMZAXFG-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.21
Rot. Bonds5

About 6-[[(3-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid

6-[[(3-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid (PubChem CID 106904432) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 6-[[(3-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[(3-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid
PubChem CID106904432
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name6-[[(3-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(CNCc2cccc(F)c2)n1
InChIInChI=1S/C14H13FN2O2/c15-11-4-1-3-10(7-11)8-16-9-12-5-2-6-13(17-12)14(18)19/h1-7,16H,8-9H2,(H,18,19)
InChIKeyBISFHPXMMZAXFG-UHFFFAOYSA-N
XLogP2.21
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[(3,4-difluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904564
6-[[(2,4-difluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904640
6-[[(2-bromo-5-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904521
N-[(6-bromo-2-pyridinyl)methyl]-1-(3-fluorophenyl)methanamine
CID 112581892
2-fluoro-4-[[(3-fluorophenyl)methylamino]methyl]benzoic acid
CID 106699660
6-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 43566561
2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 20929906
6-[(2-ethylbutylamino)methyl]pyridine-2-carboxylic acid
CID 106904993
5-[[(3-fluorophenyl)methylamino]methyl]furan-3-carboxylic acid
CID 113432447
6-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]pyridine-2-carboxylic acid
CID 106178072
6-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904607
6-(fluoromethyl)pyridine-2-carboxylic acid;iridium
CID 58621414

Frequently Asked Questions

What is the IUPAC name of 6-[[(3-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[(3-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid (CID 106904432) is 6-[[(3-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[(3-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[(3-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(CNCc2cccc(F)c2)n1.
What is the InChIKey of 6-[[(3-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid?
The InChIKey is BISFHPXMMZAXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c15-11-4-1-3-10(7-11)8-16-9-12-5-2-6-13(17-12)14(18)19/h1-7,16H,8-9H2,(H,18,19).
What are the key properties of 6-[[(3-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid?
6-[[(3-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid has a molecular weight of 260.27 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).