2-(5-fluoropyrimidin-4-yl)acetic acid

C6H5FN2O2 — CID 119094836

IUPAC2-(5-fluoropyrimidin-4-yl)acetic acid
SMILESO=C(O)Cc1ncncc1F
InChIInChI=1S/C6H5FN2O2/c7-4-2-8-3-9-5(4)1-6(10)11/h2-3H,1H2,(H,10,11)
InChIKeyHHNBHXNVAFTWHV-UHFFFAOYSA-N
MW156.12 g/mol
LogP0.24
Rot. Bonds2

About 2-(5-fluoropyrimidin-4-yl)acetic acid

2-(5-fluoropyrimidin-4-yl)acetic acid (PubChem CID 119094836) has the molecular formula C6H5FN2O2 and a molecular weight of 156.12 g/mol. Its IUPAC name is 2-(5-fluoropyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(5-fluoropyrimidin-4-yl)acetic acid
PubChem CID119094836
Molecular FormulaC6H5FN2O2
Molecular Weight156.12 g/mol
Exact Mass156.03
IUPAC Name2-(5-fluoropyrimidin-4-yl)acetic acid
SMILESO=C(O)Cc1ncncc1F
InChIInChI=1S/C6H5FN2O2/c7-4-2-8-3-9-5(4)1-6(10)11/h2-3H,1H2,(H,10,11)
InChIKeyHHNBHXNVAFTWHV-UHFFFAOYSA-N
XLogP0.24
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.12
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoropyrimidin-4-yl)acetic acid?
The IUPAC name of 2-(5-fluoropyrimidin-4-yl)acetic acid (CID 119094836) is 2-(5-fluoropyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-(5-fluoropyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-(5-fluoropyrimidin-4-yl)acetic acid is O=C(O)Cc1ncncc1F.
What is the InChIKey of 2-(5-fluoropyrimidin-4-yl)acetic acid?
The InChIKey is HHNBHXNVAFTWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN2O2/c7-4-2-8-3-9-5(4)1-6(10)11/h2-3H,1H2,(H,10,11).
What are the key properties of 2-(5-fluoropyrimidin-4-yl)acetic acid?
2-(5-fluoropyrimidin-4-yl)acetic acid has a molecular weight of 156.12 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoropyrimidin-4-yl)acetic acid is sourced from PubChem (CID 119094836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).