2-(5-fluoropyrimidin-4-yl)pyridine-3-carboxylic acid

C10H6FN3O2 — CID 155343855

IUPAC2-(5-fluoropyrimidin-4-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1-c1ncncc1F
InChIInChI=1S/C10H6FN3O2/c11-7-4-12-5-14-9(7)8-6(10(15)16)2-1-3-13-8/h1-5H,(H,15,16)
InChIKeyOERBXAGRFRIQGF-UHFFFAOYSA-N
MW219.18 g/mol
LogP1.38
Rot. Bonds2

About 2-(5-fluoropyrimidin-4-yl)pyridine-3-carboxylic acid

2-(5-fluoropyrimidin-4-yl)pyridine-3-carboxylic acid (PubChem CID 155343855) has the molecular formula C10H6FN3O2 and a molecular weight of 219.18 g/mol. Its IUPAC name is 2-(5-fluoropyrimidin-4-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(5-fluoropyrimidin-4-yl)pyridine-3-carboxylic acid
PubChem CID155343855
Molecular FormulaC10H6FN3O2
Molecular Weight219.18 g/mol
Exact Mass219.04
IUPAC Name2-(5-fluoropyrimidin-4-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1-c1ncncc1F
InChIInChI=1S/C10H6FN3O2/c11-7-4-12-5-14-9(7)8-6(10(15)16)2-1-3-13-8/h1-5H,(H,15,16)
InChIKeyOERBXAGRFRIQGF-UHFFFAOYSA-N
XLogP1.38
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.18
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoropyrimidin-4-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(5-fluoropyrimidin-4-yl)pyridine-3-carboxylic acid (CID 155343855) is 2-(5-fluoropyrimidin-4-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(5-fluoropyrimidin-4-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(5-fluoropyrimidin-4-yl)pyridine-3-carboxylic acid is O=C(O)c1cccnc1-c1ncncc1F.
What is the InChIKey of 2-(5-fluoropyrimidin-4-yl)pyridine-3-carboxylic acid?
The InChIKey is OERBXAGRFRIQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3O2/c11-7-4-12-5-14-9(7)8-6(10(15)16)2-1-3-13-8/h1-5H,(H,15,16).
What are the key properties of 2-(5-fluoropyrimidin-4-yl)pyridine-3-carboxylic acid?
2-(5-fluoropyrimidin-4-yl)pyridine-3-carboxylic acid has a molecular weight of 219.18 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoropyrimidin-4-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 155343855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).