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

C9H10FNO3 — CID 81446128

IUPAC3-(3-fluoropropoxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1OCCCF
InChIInChI=1S/C9H10FNO3/c10-3-1-5-14-8-6-11-4-2-7(8)9(12)13/h2,4,6H,1,3,5H2,(H,12,13)
InChIKeyISFIEQFXOUEPTN-UHFFFAOYSA-N
MW199.18 g/mol
LogP1.52
Rot. Bonds5

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

3-(3-fluoropropoxy)pyridine-4-carboxylic acid (PubChem CID 81446128) has the molecular formula C9H10FNO3 and a molecular weight of 199.18 g/mol. Its IUPAC name is 3-(3-fluoropropoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-fluoropropoxy)pyridine-4-carboxylic acid
PubChem CID81446128
Molecular FormulaC9H10FNO3
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC Name3-(3-fluoropropoxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1OCCCF
InChIInChI=1S/C9H10FNO3/c10-3-1-5-14-8-6-11-4-2-7(8)9(12)13/h2,4,6H,1,3,5H2,(H,12,13)
InChIKeyISFIEQFXOUEPTN-UHFFFAOYSA-N
XLogP1.52
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-methoxybutoxy)pyridine-4-carboxylic acid
CID 104646814
3-(3-ethoxypropoxy)pyridine-4-carboxylic acid
CID 81446404
3-(2-fluoropropoxy)pyridine-4-carboxylic acid
CID 84668656
3-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid
CID 115505910
3-(3-cyano-3-methylbutoxy)pyridine-4-carboxylic acid
CID 81446577
3-[2-(2-bromo-4-chlorophenoxy)ethoxy]pyridine-4-carboxylic acid
CID 81438776
3-[(4-bromophenyl)methoxy]pyridine-4-carboxylic acid
CID 81446238
3-[(3-fluoro-2-pyridinyl)methoxy]pyridine-4-carboxylic acid
CID 175485081
3-[(2,5-difluorophenyl)methoxy]pyridine-4-carboxylic acid
CID 81446392
3-[(3-fluoro-2-pyridinyl)oxy]pyridine-4-carboxylic acid
CID 81442880
3-[(2-bromo-5-fluorophenyl)methoxy]pyridine-4-carboxylic acid
CID 81446134
3-[2-hydroxy-3-(2-methoxyethoxy)propoxy]pyridine-4-carboxylic acid
CID 106988326

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropropoxy)pyridine-4-carboxylic acid?
The IUPAC name of 3-(3-fluoropropoxy)pyridine-4-carboxylic acid (CID 81446128) is 3-(3-fluoropropoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(3-fluoropropoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(3-fluoropropoxy)pyridine-4-carboxylic acid is O=C(O)c1ccncc1OCCCF.
What is the InChIKey of 3-(3-fluoropropoxy)pyridine-4-carboxylic acid?
The InChIKey is ISFIEQFXOUEPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3/c10-3-1-5-14-8-6-11-4-2-7(8)9(12)13/h2,4,6H,1,3,5H2,(H,12,13).
What are the key properties of 3-(3-fluoropropoxy)pyridine-4-carboxylic acid?
3-(3-fluoropropoxy)pyridine-4-carboxylic acid has a molecular weight of 199.18 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 81446128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).