3-(2-fluoropropoxy)pyridine-4-carboxylic acid

C9H10FNO3 — CID 84668656

IUPAC3-(2-fluoropropoxy)pyridine-4-carboxylic acid
SMILESCC(F)COc1cnccc1C(=O)O
InChIInChI=1S/C9H10FNO3/c1-6(10)5-14-8-4-11-3-2-7(8)9(12)13/h2-4,6H,5H2,1H3,(H,12,13)
InChIKeyCGGKXYXUNVXWHZ-UHFFFAOYSA-N
MW199.18 g/mol
LogP1.52
Rot. Bonds4

About 3-(2-fluoropropoxy)pyridine-4-carboxylic acid

3-(2-fluoropropoxy)pyridine-4-carboxylic acid (PubChem CID 84668656) has the molecular formula C9H10FNO3 and a molecular weight of 199.18 g/mol. Its IUPAC name is 3-(2-fluoropropoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-fluoropropoxy)pyridine-4-carboxylic acid
PubChem CID84668656
Molecular FormulaC9H10FNO3
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC Name3-(2-fluoropropoxy)pyridine-4-carboxylic acid
SMILESCC(F)COc1cnccc1C(=O)O
InChIInChI=1S/C9H10FNO3/c1-6(10)5-14-8-4-11-3-2-7(8)9(12)13/h2-4,6H,5H2,1H3,(H,12,13)
InChIKeyCGGKXYXUNVXWHZ-UHFFFAOYSA-N
XLogP1.52
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluoropropoxy)pyridine-4-carboxylic acid
CID 81446128
3-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid
CID 115505910
3-[2-hydroxy-3-(2-methoxyethoxy)propoxy]pyridine-4-carboxylic acid
CID 106988326
3-(4-methoxybutoxy)pyridine-4-carboxylic acid
CID 104646814
sodium 3-(2-methylpropoxy)pyridine-4-carboxylate
CID 172826059
1-[3-(2-methylpropoxy)-4-pyridinyl]propan-1-one
CID 174637541
3-(3-ethoxypropoxy)pyridine-4-carboxylic acid
CID 81446404
3-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-4-carboxylic acid
CID 81446500
3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-4-carboxylic acid
CID 81445973
3-[(4-tert-butylphenyl)methoxy]pyridine-4-carboxylic acid
CID 81439619
3-[(4-bromophenyl)methoxy]pyridine-4-carboxylic acid
CID 81446238
3-[(3-fluoro-2-pyridinyl)methoxy]pyridine-4-carboxylic acid
CID 175485081

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropropoxy)pyridine-4-carboxylic acid?
The IUPAC name of 3-(2-fluoropropoxy)pyridine-4-carboxylic acid (CID 84668656) is 3-(2-fluoropropoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(2-fluoropropoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(2-fluoropropoxy)pyridine-4-carboxylic acid is CC(F)COc1cnccc1C(=O)O.
What is the InChIKey of 3-(2-fluoropropoxy)pyridine-4-carboxylic acid?
The InChIKey is CGGKXYXUNVXWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3/c1-6(10)5-14-8-4-11-3-2-7(8)9(12)13/h2-4,6H,5H2,1H3,(H,12,13).
What are the key properties of 3-(2-fluoropropoxy)pyridine-4-carboxylic acid?
3-(2-fluoropropoxy)pyridine-4-carboxylic acid has a molecular weight of 199.18 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropropoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 84668656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).