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

C13H10FNO3 — CID 18758414

IUPAC3-[(4-fluorophenyl)methoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1OCc1ccc(F)cc1
InChIInChI=1S/C13H10FNO3/c14-10-5-3-9(4-6-10)8-18-11-2-1-7-15-12(11)13(16)17/h1-7H,8H2,(H,16,17)
InChIKeyNKAJKXQJZPJBFW-UHFFFAOYSA-N
MW247.23 g/mol
LogP2.50
Rot. Bonds4

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

3-[(4-fluorophenyl)methoxy]pyridine-2-carboxylic acid (PubChem CID 18758414) has the molecular formula C13H10FNO3 and a molecular weight of 247.23 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methoxy]pyridine-2-carboxylic acid
PubChem CID18758414
Molecular FormulaC13H10FNO3
Molecular Weight247.23 g/mol
Exact Mass247.06
IUPAC Name3-[(4-fluorophenyl)methoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1OCc1ccc(F)cc1
InChIInChI=1S/C13H10FNO3/c14-10-5-3-9(4-6-10)8-18-11-2-1-7-15-12(11)13(16)17/h1-7H,8H2,(H,16,17)
InChIKeyNKAJKXQJZPJBFW-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

5-(2,2,2-Trifluoroethoxy)pyridine-2-carboxylic acid
CID 57475854
5-(Benzyloxy)pyridine-2-carboxylic acid
CID 18379352
4-[2-[2-Phenylmethoxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid
CID 10310313
US10889546, Example 47
CID 129027320
Picolinic acid, 5-(p-tolyloxy)-
CID 3055222
5-Butoxypicolinic acid
CID 173872
2-(Pyridin-2-ylmethoxy)benzaldehyde
CID 771116
3-(2,2,2-Trifluoroethoxy)pyridine-2-carboxylic acid
CID 57475879
Methyl 3-Hydroxy-2-pyridinecarboxylate
CID 819341
Ethyl 3-hydroxypicolinate
CID 15080989
5-(Trifluoromethyl)-3-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
CID 1478755
[4-(2,2-Dicyanoethenyl)phenyl] pyridine-2-carboxylate
CID 2312290

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methoxy]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(4-fluorophenyl)methoxy]pyridine-2-carboxylic acid (CID 18758414) is 3-[(4-fluorophenyl)methoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(4-fluorophenyl)methoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(4-fluorophenyl)methoxy]pyridine-2-carboxylic acid is O=C(O)c1ncccc1OCc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methoxy]pyridine-2-carboxylic acid?
The InChIKey is NKAJKXQJZPJBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c14-10-5-3-9(4-6-10)8-18-11-2-1-7-15-12(11)13(16)17/h1-7H,8H2,(H,16,17).
What are the key properties of 3-[(4-fluorophenyl)methoxy]pyridine-2-carboxylic acid?
3-[(4-fluorophenyl)methoxy]pyridine-2-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 3-[(4-fluorophenyl)methoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 18758414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).