2-fluoro-5-pyridin-4-ylpyridine-3-carboxylic acid

C11H7FN2O2 — CID 46315833

IUPAC2-fluoro-5-pyridin-4-ylpyridine-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccncc2)cnc1F
InChIInChI=1S/C11H7FN2O2/c12-10-9(11(15)16)5-8(6-14-10)7-1-3-13-4-2-7/h1-6H,(H,15,16)
InChIKeyUAGMNTRCACEZTD-UHFFFAOYSA-N
MW218.19 g/mol
LogP1.98
Rot. Bonds2

About 2-fluoro-5-pyridin-4-ylpyridine-3-carboxylic acid

2-fluoro-5-pyridin-4-ylpyridine-3-carboxylic acid (PubChem CID 46315833) has the molecular formula C11H7FN2O2 and a molecular weight of 218.19 g/mol. Its IUPAC name is 2-fluoro-5-pyridin-4-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-fluoro-5-pyridin-4-ylpyridine-3-carboxylic acid
PubChem CID46315833
Molecular FormulaC11H7FN2O2
Molecular Weight218.19 g/mol
Exact Mass218.05
IUPAC Name2-fluoro-5-pyridin-4-ylpyridine-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccncc2)cnc1F
InChIInChI=1S/C11H7FN2O2/c12-10-9(11(15)16)5-8(6-14-10)7-1-3-13-4-2-7/h1-6H,(H,15,16)
InChIKeyUAGMNTRCACEZTD-UHFFFAOYSA-N
XLogP1.98
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.19
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

bis(benzene-1,2,4,5-tetracarboxylic acid);4-pyridin-4-ylpyridine
CID 71380958
2,5-dipyridin-4-ylterephthalic acid
CID 163197795
CID 172631320
CID 172631320
2-hydroxy-4-pyridin-4-ylbenzoic acid
CID 22710668
2,5-bis[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 134618070
3-pyridin-4-ylnaphthalene-1-carboxylic acid
CID 3348527
2-(dimethylamino)-5-pyridin-4-ylpyridine-3-carboxamide
CID 20509458
2-fluoro-5-pyridin-4-ylpyrimidine
CID 46315835
4-fluoropyridine-3-carboxylic acid
CID 2762936
2-fluoro-5-pyridin-4-ylbenzamide
CID 46315517
bis(4-amino-2-hydroxybenzoic acid);4-pyridin-4-ylpyridine
CID 139146382
2-chloro-5-(4-hydroxyphenyl)pyridine-3-carboxylic acid
CID 53222587

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-pyridin-4-ylpyridine-3-carboxylic acid?
The IUPAC name of 2-fluoro-5-pyridin-4-ylpyridine-3-carboxylic acid (CID 46315833) is 2-fluoro-5-pyridin-4-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-fluoro-5-pyridin-4-ylpyridine-3-carboxylic acid?
The canonical SMILES for 2-fluoro-5-pyridin-4-ylpyridine-3-carboxylic acid is O=C(O)c1cc(-c2ccncc2)cnc1F.
What is the InChIKey of 2-fluoro-5-pyridin-4-ylpyridine-3-carboxylic acid?
The InChIKey is UAGMNTRCACEZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O2/c12-10-9(11(15)16)5-8(6-14-10)7-1-3-13-4-2-7/h1-6H,(H,15,16).
What are the key properties of 2-fluoro-5-pyridin-4-ylpyridine-3-carboxylic acid?
2-fluoro-5-pyridin-4-ylpyridine-3-carboxylic acid has a molecular weight of 218.19 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-pyridin-4-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 46315833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).