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

C13H9ClFNO3 — CID 87246747

IUPAC2-chloro-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(OCc2cccc(F)c2)nc1Cl
InChIInChI=1S/C13H9ClFNO3/c14-12-10(13(17)18)4-5-11(16-12)19-7-8-2-1-3-9(15)6-8/h1-6H,7H2,(H,17,18)
InChIKeyGCPFJNRIAZHZIR-UHFFFAOYSA-N
MW281.67 g/mol
LogP3.15
Rot. Bonds4

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

2-chloro-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxylic acid (PubChem CID 87246747) has the molecular formula C13H9ClFNO3 and a molecular weight of 281.67 g/mol. Its IUPAC name is 2-chloro-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxylic acid
PubChem CID87246747
Molecular FormulaC13H9ClFNO3
Molecular Weight281.67 g/mol
Exact Mass281.03
IUPAC Name2-chloro-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(OCc2cccc(F)c2)nc1Cl
InChIInChI=1S/C13H9ClFNO3/c14-12-10(13(17)18)4-5-11(16-12)19-7-8-2-1-3-9(15)6-8/h1-6H,7H2,(H,17,18)
InChIKeyGCPFJNRIAZHZIR-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxylic acid?
The IUPAC name of 2-chloro-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxylic acid (CID 87246747) is 2-chloro-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-chloro-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 2-chloro-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxylic acid is O=C(O)c1ccc(OCc2cccc(F)c2)nc1Cl.
What is the InChIKey of 2-chloro-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxylic acid?
The InChIKey is GCPFJNRIAZHZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO3/c14-12-10(13(17)18)4-5-11(16-12)19-7-8-2-1-3-9(15)6-8/h1-6H,7H2,(H,17,18).
What are the key properties of 2-chloro-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxylic acid?
2-chloro-6-[(3-fluorophenyl)methoxy]pyridine-3-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 2-chloro-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 87246747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).