6-(5-fluoro-3-pyridinyl)pyrimidine-4-carboxylic acid

C10H6FN3O2 — CID 44633261

IUPAC6-(5-fluoro-3-pyridinyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cncc(F)c2)ncn1
InChIInChI=1S/C10H6FN3O2/c11-7-1-6(3-12-4-7)8-2-9(10(15)16)14-5-13-8/h1-5H,(H,15,16)
InChIKeyYFSZQELSFYRGSW-UHFFFAOYSA-N
MW219.18 g/mol
LogP1.38
Rot. Bonds2

About 6-(5-fluoro-3-pyridinyl)pyrimidine-4-carboxylic acid

6-(5-fluoro-3-pyridinyl)pyrimidine-4-carboxylic acid (PubChem CID 44633261) has the molecular formula C10H6FN3O2 and a molecular weight of 219.18 g/mol. Its IUPAC name is 6-(5-fluoro-3-pyridinyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(5-fluoro-3-pyridinyl)pyrimidine-4-carboxylic acid
PubChem CID44633261
Molecular FormulaC10H6FN3O2
Molecular Weight219.18 g/mol
Exact Mass219.04
IUPAC Name6-(5-fluoro-3-pyridinyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cncc(F)c2)ncn1
InChIInChI=1S/C10H6FN3O2/c11-7-1-6(3-12-4-7)8-2-9(10(15)16)14-5-13-8/h1-5H,(H,15,16)
InChIKeyYFSZQELSFYRGSW-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 6-(5-fluoro-3-pyridinyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-(5-fluoro-3-pyridinyl)pyrimidine-4-carboxylic acid (CID 44633261) is 6-(5-fluoro-3-pyridinyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(5-fluoro-3-pyridinyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(5-fluoro-3-pyridinyl)pyrimidine-4-carboxylic acid is O=C(O)c1cc(-c2cncc(F)c2)ncn1.
What is the InChIKey of 6-(5-fluoro-3-pyridinyl)pyrimidine-4-carboxylic acid?
The InChIKey is YFSZQELSFYRGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3O2/c11-7-1-6(3-12-4-7)8-2-9(10(15)16)14-5-13-8/h1-5H,(H,15,16).
What are the key properties of 6-(5-fluoro-3-pyridinyl)pyrimidine-4-carboxylic acid?
6-(5-fluoro-3-pyridinyl)pyrimidine-4-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 6-(5-fluoro-3-pyridinyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 44633261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).