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

C13H9ClFNO3 — CID 103046281

IUPAC3-[(5-chloro-2-fluorophenyl)methoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1OCc1cc(Cl)ccc1F
InChIInChI=1S/C13H9ClFNO3/c14-9-3-4-10(15)8(6-9)7-19-11-2-1-5-16-12(11)13(17)18/h1-6H,7H2,(H,17,18)
InChIKeyUQTRJJKHZYMYJX-UHFFFAOYSA-N
MW281.67 g/mol
LogP3.15
Rot. Bonds4

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

3-[(5-chloro-2-fluorophenyl)methoxy]pyridine-2-carboxylic acid (PubChem CID 103046281) has the molecular formula C13H9ClFNO3 and a molecular weight of 281.67 g/mol. Its IUPAC name is 3-[(5-chloro-2-fluorophenyl)methoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-chloro-2-fluorophenyl)methoxy]pyridine-2-carboxylic acid
PubChem CID103046281
Molecular FormulaC13H9ClFNO3
Molecular Weight281.67 g/mol
Exact Mass281.03
IUPAC Name3-[(5-chloro-2-fluorophenyl)methoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1OCc1cc(Cl)ccc1F
InChIInChI=1S/C13H9ClFNO3/c14-9-3-4-10(15)8(6-9)7-19-11-2-1-5-16-12(11)13(17)18/h1-6H,7H2,(H,17,18)
InChIKeyUQTRJJKHZYMYJX-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

2-bromo-3-[(5-chloro-2-fluorophenyl)methoxy]pyridine
CID 103695175
3-[(2,3-difluorophenoxy)methyl]pyridine-2-carboxylic acid
CID 63097860
3-(naphthalen-1-ylmethoxy)pyridine-2-carboxylic acid
CID 61380024
3-[(3,5-dimethylphenyl)methoxy]pyridine-2-carboxylic acid
CID 61380273
2-chloro-6-[(2,5-difluorophenyl)methoxy]benzoic acid
CID 78975229
1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one
CID 103046633
4-fluoro-3-[(2-nitro-3-pyridinyl)oxymethyl]benzoic acid
CID 107451989
4-[(5-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 103046268
4-chloro-1-fluoro-2-[(2-iodophenoxy)methyl]benzene
CID 103046666
3-(3-aminopropoxy)pyridine-2-carboxylic acid
CID 63654419
3-[(2-ethylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63074333
3-(5-chloro-2-fluorobenzoyl)pyridine-2-carboxylic acid
CID 23355556

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-fluorophenyl)methoxy]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(5-chloro-2-fluorophenyl)methoxy]pyridine-2-carboxylic acid (CID 103046281) is 3-[(5-chloro-2-fluorophenyl)methoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(5-chloro-2-fluorophenyl)methoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(5-chloro-2-fluorophenyl)methoxy]pyridine-2-carboxylic acid is O=C(O)c1ncccc1OCc1cc(Cl)ccc1F.
What is the InChIKey of 3-[(5-chloro-2-fluorophenyl)methoxy]pyridine-2-carboxylic acid?
The InChIKey is UQTRJJKHZYMYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO3/c14-9-3-4-10(15)8(6-9)7-19-11-2-1-5-16-12(11)13(17)18/h1-6H,7H2,(H,17,18).
What are the key properties of 3-[(5-chloro-2-fluorophenyl)methoxy]pyridine-2-carboxylic acid?
3-[(5-chloro-2-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 3-[(5-chloro-2-fluorophenyl)methoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 103046281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).