4-fluoropyridine-3-carboxylic acid

C6H4FNO2 — CID 2762936

IUPAC4-fluoropyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1F
InChIInChI=1S/C6H4FNO2/c7-5-1-2-8-3-4(5)6(9)10/h1-3H,(H,9,10)
InChIKeyUBIVUIKWHBNGFG-UHFFFAOYSA-N
MW141.10 g/mol
LogP0.92
Rot. Bonds1

About 4-fluoropyridine-3-carboxylic acid

4-fluoropyridine-3-carboxylic acid (PubChem CID 2762936) has the molecular formula C6H4FNO2 and a molecular weight of 141.10 g/mol. Its IUPAC name is 4-fluoropyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-fluoropyridine-3-carboxylic acid
PubChem CID2762936
Molecular FormulaC6H4FNO2
Molecular Weight141.10 g/mol
Exact Mass141.02
IUPAC Name4-fluoropyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1F
InChIInChI=1S/C6H4FNO2/c7-5-1-2-8-3-4(5)6(9)10/h1-3H,(H,9,10)
InChIKeyUBIVUIKWHBNGFG-UHFFFAOYSA-N
XLogP0.92
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.10
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

pyridine-3,4-dicarboxylic acid;dihydrochloride
CID 70421739
methyl 4-fluoropyridine-3-carboxylate
CID 46311150
4-iodopyridine-3-carboxylic acid
CID 818279
3-(4-carboxy-3-pyridinyl)pyridine-4-carboxylic acid
CID 91435588
4-(2,4,5-trifluoroanilino)pyridine-3-carboxylic acid
CID 81243645
4-(2-fluorophenyl)sulfanylpyridine-3-carboxylic acid
CID 81237081
3-acetylpyridine-4-carboxylic acid
CID 19902844
3-(2-fluorophenyl)pyridine-4-carboxylic acid
CID 46313119
3-(2,4,5-trifluorophenyl)pyridine-4-carboxylic acid
CID 115503075
4-(18F)fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 172512860
4-(4-fluorobenzoyl)pyridine-3-carboxylic acid
CID 10752867
4-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxylic acid
CID 135741529

Frequently Asked Questions

What is the IUPAC name of 4-fluoropyridine-3-carboxylic acid?
The IUPAC name of 4-fluoropyridine-3-carboxylic acid (CID 2762936) is 4-fluoropyridine-3-carboxylic acid.
What is the SMILES notation for 4-fluoropyridine-3-carboxylic acid?
The canonical SMILES for 4-fluoropyridine-3-carboxylic acid is O=C(O)c1cnccc1F.
What is the InChIKey of 4-fluoropyridine-3-carboxylic acid?
The InChIKey is UBIVUIKWHBNGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FNO2/c7-5-1-2-8-3-4(5)6(9)10/h1-3H,(H,9,10).
What are the key properties of 4-fluoropyridine-3-carboxylic acid?
4-fluoropyridine-3-carboxylic acid has a molecular weight of 141.10 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoropyridine-3-carboxylic acid is sourced from PubChem (CID 2762936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).