2-[(2,2-difluorocyclopropyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid

C9H8F2N2O3 — CID 165445085

IUPAC2-[(2,2-difluorocyclopropyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(CC2CC2(F)F)[nH]c1=O
InChIInChI=1S/C9H8F2N2O3/c10-9(11)2-4(9)1-6-12-3-5(8(15)16)7(14)13-6/h3-4H,1-2H2,(H,15,16)(H,12,13,14)
InChIKeyDVZXUESECMCGQE-UHFFFAOYSA-N
MW230.17 g/mol
LogP0.67
Rot. Bonds3

About 2-[(2,2-difluorocyclopropyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid

2-[(2,2-difluorocyclopropyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 165445085) has the molecular formula C9H8F2N2O3 and a molecular weight of 230.17 g/mol. Its IUPAC name is 2-[(2,2-difluorocyclopropyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[(2,2-difluorocyclopropyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID165445085
Molecular FormulaC9H8F2N2O3
Molecular Weight230.17 g/mol
Exact Mass230.05
IUPAC Name2-[(2,2-difluorocyclopropyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(CC2CC2(F)F)[nH]c1=O
InChIInChI=1S/C9H8F2N2O3/c10-9(11)2-4(9)1-6-12-3-5(8(15)16)7(14)13-6/h3-4H,1-2H2,(H,15,16)(H,12,13,14)
InChIKeyDVZXUESECMCGQE-UHFFFAOYSA-N
XLogP0.67
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.17
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluorocyclopropyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-[(2,2-difluorocyclopropyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 165445085) is 2-[(2,2-difluorocyclopropyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[(2,2-difluorocyclopropyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[(2,2-difluorocyclopropyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid is O=C(O)c1cnc(CC2CC2(F)F)[nH]c1=O.
What is the InChIKey of 2-[(2,2-difluorocyclopropyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is DVZXUESECMCGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O3/c10-9(11)2-4(9)1-6-12-3-5(8(15)16)7(14)13-6/h3-4H,1-2H2,(H,15,16)(H,12,13,14).
What are the key properties of 2-[(2,2-difluorocyclopropyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-[(2,2-difluorocyclopropyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 230.17 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluorocyclopropyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 165445085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).