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

C12H9FN2O3 — CID 175485081

IUPAC3-[(3-fluoro-2-pyridinyl)methoxy]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1OCc1ncccc1F
InChIInChI=1S/C12H9FN2O3/c13-9-2-1-4-15-10(9)7-18-11-6-14-5-3-8(11)12(16)17/h1-6H,7H2,(H,16,17)
InChIKeyKDEWSIKFNLMJRL-UHFFFAOYSA-N
MW248.21 g/mol
LogP1.89
Rot. Bonds4

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

3-[(3-fluoro-2-pyridinyl)methoxy]pyridine-4-carboxylic acid (PubChem CID 175485081) has the molecular formula C12H9FN2O3 and a molecular weight of 248.21 g/mol. Its IUPAC name is 3-[(3-fluoro-2-pyridinyl)methoxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(3-fluoro-2-pyridinyl)methoxy]pyridine-4-carboxylic acid
PubChem CID175485081
Molecular FormulaC12H9FN2O3
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Name3-[(3-fluoro-2-pyridinyl)methoxy]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1OCc1ncccc1F
InChIInChI=1S/C12H9FN2O3/c13-9-2-1-4-15-10(9)7-18-11-6-14-5-3-8(11)12(16)17/h1-6H,7H2,(H,16,17)
InChIKeyKDEWSIKFNLMJRL-UHFFFAOYSA-N
XLogP1.89
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-fluoro-2-pyridinyl)oxy]pyridine-4-carboxylic acid
CID 81442880
3-[(2,5-difluorophenyl)methoxy]pyridine-4-carboxylic acid
CID 81446392
3-(3-fluoropropoxy)pyridine-4-carboxylic acid
CID 81446128
3-[(2-bromo-5-fluorophenyl)methoxy]pyridine-4-carboxylic acid
CID 81446134
3-[(5-chlorothiadiazol-4-yl)methoxy]pyridine-4-carboxylic acid
CID 81445483
3-fluoro-2-(phenoxymethyl)pyridine
CID 123532650
3-[(4-bromophenyl)methoxy]pyridine-4-carboxylic acid
CID 81446238
3-[(3-bromo-5-fluorophenyl)methoxy]pyridine-4-carboxylic acid
CID 81446135
3-[(2-ethoxyphenyl)methoxy]pyridine-4-carboxylic acid
CID 81445971
3-(2-fluoropropoxy)pyridine-4-carboxylic acid
CID 84668656
3-[(4-tert-butylphenyl)methoxy]pyridine-4-carboxylic acid
CID 81439619
2-[(2-fluoro-5-methylphenoxy)methyl]pyridine-3-carboxylic acid
CID 114198283

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-2-pyridinyl)methoxy]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(3-fluoro-2-pyridinyl)methoxy]pyridine-4-carboxylic acid (CID 175485081) is 3-[(3-fluoro-2-pyridinyl)methoxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(3-fluoro-2-pyridinyl)methoxy]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(3-fluoro-2-pyridinyl)methoxy]pyridine-4-carboxylic acid is O=C(O)c1ccncc1OCc1ncccc1F.
What is the InChIKey of 3-[(3-fluoro-2-pyridinyl)methoxy]pyridine-4-carboxylic acid?
The InChIKey is KDEWSIKFNLMJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3/c13-9-2-1-4-15-10(9)7-18-11-6-14-5-3-8(11)12(16)17/h1-6H,7H2,(H,16,17).
What are the key properties of 3-[(3-fluoro-2-pyridinyl)methoxy]pyridine-4-carboxylic acid?
3-[(3-fluoro-2-pyridinyl)methoxy]pyridine-4-carboxylic acid has a molecular weight of 248.21 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-2-pyridinyl)methoxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 175485081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).