5-amino-6-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid

C13H11FN2O3 — CID 81439627

IUPAC5-amino-6-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)cnc1OCc1ccccc1F
InChIInChI=1S/C13H11FN2O3/c14-10-4-2-1-3-8(10)7-19-12-11(15)5-9(6-16-12)13(17)18/h1-6H,7,15H2,(H,17,18)
InChIKeyXOVVLPOVFGNTIS-UHFFFAOYSA-N
MW262.24 g/mol
LogP2.08
Rot. Bonds4

About 5-amino-6-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid

5-amino-6-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid (PubChem CID 81439627) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is 5-amino-6-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid
PubChem CID81439627
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Name5-amino-6-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)cnc1OCc1ccccc1F
InChIInChI=1S/C13H11FN2O3/c14-10-4-2-1-3-8(10)7-19-12-11(15)5-9(6-16-12)13(17)18/h1-6H,7,15H2,(H,17,18)
InChIKeyXOVVLPOVFGNTIS-UHFFFAOYSA-N
XLogP2.08
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluorophenyl)methoxy]-5-methylpyridin-3-amine
CID 66278256
5-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid
CID 63852379
5-amino-6-ethoxypyridine-3-carboxylic acid
CID 81439997
4-[(2-fluorophenyl)methoxy]-3,5-dimethylbenzoic acid
CID 28932941
(2-fluorophenyl)methyl 6-fluoropyridine-3-carboxylate
CID 113236225
3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoic acid
CID 8707072
(2-fluorophenyl)methyl 5,6-dichloropyridine-3-carboxylate
CID 3288046
2-chloro-6-[(2-fluorophenyl)methoxy]pyridine-4-carboxylic acid
CID 63932215
5-amino-6-(3,5-difluorophenoxy)pyridine-3-carboxylic acid
CID 81438869
5-amino-6-(2-iodophenoxy)pyridine-3-carboxylic acid
CID 81439625
5-amino-6-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid
CID 82716669
ethyl 4-amino-3-[(2-fluorophenyl)methoxy]benzoate
CID 82778634

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid (CID 81439627) is 5-amino-6-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid is Nc1cc(C(=O)O)cnc1OCc1ccccc1F.
What is the InChIKey of 5-amino-6-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid?
The InChIKey is XOVVLPOVFGNTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c14-10-4-2-1-3-8(10)7-19-12-11(15)5-9(6-16-12)13(17)18/h1-6H,7,15H2,(H,17,18).
What are the key properties of 5-amino-6-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid?
5-amino-6-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid has a molecular weight of 262.24 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 81439627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).