5-[(4-chloro-3-fluorophenyl)methoxy]pyridine-2-carboxylic acid

C13H9ClFNO3 — CID 107881627

IUPAC5-[(4-chloro-3-fluorophenyl)methoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(OCc2ccc(Cl)c(F)c2)cn1
InChIInChI=1S/C13H9ClFNO3/c14-10-3-1-8(5-11(10)15)7-19-9-2-4-12(13(17)18)16-6-9/h1-6H,7H2,(H,17,18)
InChIKeyJZBRRRIWNCGUNC-UHFFFAOYSA-N
MW281.67 g/mol
LogP3.15
Rot. Bonds4

About 5-[(4-chloro-3-fluorophenyl)methoxy]pyridine-2-carboxylic acid

5-[(4-chloro-3-fluorophenyl)methoxy]pyridine-2-carboxylic acid (PubChem CID 107881627) has the molecular formula C13H9ClFNO3 and a molecular weight of 281.67 g/mol. Its IUPAC name is 5-[(4-chloro-3-fluorophenyl)methoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-chloro-3-fluorophenyl)methoxy]pyridine-2-carboxylic acid
PubChem CID107881627
Molecular FormulaC13H9ClFNO3
Molecular Weight281.67 g/mol
Exact Mass281.03
IUPAC Name5-[(4-chloro-3-fluorophenyl)methoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(OCc2ccc(Cl)c(F)c2)cn1
InChIInChI=1S/C13H9ClFNO3/c14-10-3-1-8(5-11(10)15)7-19-9-2-4-12(13(17)18)16-6-9/h1-6H,7H2,(H,17,18)
InChIKeyJZBRRRIWNCGUNC-UHFFFAOYSA-N
XLogP3.15
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 107879633
5-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboxylic acid
CID 79793988
3,5-dibromo-4-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid
CID 107881642
4-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]butan-2-one
CID 107881269
4-[(4-chloro-3-fluorophenyl)methoxy]benzaldehyde
CID 91655713
5-[(3-chloro-4-pyridinyl)methoxy]pyridine-2-carboxylic acid
CID 79794515
5-[(5-methyl-3-pyridinyl)methoxy]pyridine-2-carboxylic acid
CID 102881330
methyl 4-[(4-chloro-3-fluorophenoxy)methyl]-2-fluorobenzoate
CID 106698483
5-[(4-chloro-3-fluorophenyl)methoxy]-2-(propanoylamino)benzoic acid
CID 24994059
N-[[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 107879639
4-[(3,4-dichlorophenyl)methoxy]benzoic acid
CID 2764449
(4-chloro-3-fluorophenyl)methyl hydrogen sulfite
CID 174745744

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3-fluorophenyl)methoxy]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(4-chloro-3-fluorophenyl)methoxy]pyridine-2-carboxylic acid (CID 107881627) is 5-[(4-chloro-3-fluorophenyl)methoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(4-chloro-3-fluorophenyl)methoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(4-chloro-3-fluorophenyl)methoxy]pyridine-2-carboxylic acid is O=C(O)c1ccc(OCc2ccc(Cl)c(F)c2)cn1.
What is the InChIKey of 5-[(4-chloro-3-fluorophenyl)methoxy]pyridine-2-carboxylic acid?
The InChIKey is JZBRRRIWNCGUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO3/c14-10-3-1-8(5-11(10)15)7-19-9-2-4-12(13(17)18)16-6-9/h1-6H,7H2,(H,17,18).
What are the key properties of 5-[(4-chloro-3-fluorophenyl)methoxy]pyridine-2-carboxylic acid?
5-[(4-chloro-3-fluorophenyl)methoxy]pyridine-2-carboxylic acid has a molecular weight of 281.67 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3-fluorophenyl)methoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 107881627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).