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

C13H10FNO3 — CID 63852379

IUPAC5-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(OCc2ccccc2F)c1
InChIInChI=1S/C13H10FNO3/c14-12-4-2-1-3-9(12)8-18-11-5-10(13(16)17)6-15-7-11/h1-7H,8H2,(H,16,17)
InChIKeyCMLFMABEKPFWSU-UHFFFAOYSA-N
MW247.23 g/mol
LogP2.50
Rot. Bonds4

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

5-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid (PubChem CID 63852379) has the molecular formula C13H10FNO3 and a molecular weight of 247.23 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid
PubChem CID63852379
Molecular FormulaC13H10FNO3
Molecular Weight247.23 g/mol
Exact Mass247.06
IUPAC Name5-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(OCc2ccccc2F)c1
InChIInChI=1S/C13H10FNO3/c14-12-4-2-1-3-9(12)8-18-11-5-10(13(16)17)6-15-7-11/h1-7H,8H2,(H,16,17)
InChIKeyCMLFMABEKPFWSU-UHFFFAOYSA-N
XLogP2.50
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-(Trifluoromethyl)phenoxy)-3-pyridinecarboxylic acid
CID 215891
Nicotinic acid, 3-methylphenyl ester
CID 532681
4-Methoxyphenyl nicotinate
CID 532682
2-Phenoxynicotinic acid
CID 123450
4-Methylphenyl pyridine-3-carboxylate
CID 735961
Phenyl 3-pyridinecarboxylate
CID 77018
2-Methylphenyl nicotinate
CID 829373
Methyl 5-hydroxypyridine-3-carboxylate
CID 354317
5-(Benzyloxy)pyridine-2-carboxylic acid
CID 18379352
5-(2-(2-(Benzyloxy)-5-(trifluoromethyl)phenyl)cyclopent-1-enyl)nicotinic acid
CID 21112865
5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-nicotinic acid methyl ester
CID 44319186
Ethyl 5-hydroxynicotinate
CID 910016

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid (CID 63852379) is 5-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid is O=C(O)c1cncc(OCc2ccccc2F)c1.
What is the InChIKey of 5-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid?
The InChIKey is CMLFMABEKPFWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c14-12-4-2-1-3-9(12)8-18-11-5-10(13(16)17)6-15-7-11/h1-7H,8H2,(H,16,17).
What are the key properties of 5-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid?
5-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid has a molecular weight of 247.23 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 63852379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).