2-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid

C17H12FN3O4 — CID 66882344

IUPAC2-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESN#CC1(C(=O)Nc2ccc(-n3ccccc3=O)cc2F)CC1C(=O)O
InChIInChI=1S/C17H12FN3O4/c18-12-7-10(21-6-2-1-3-14(21)22)4-5-13(12)20-16(25)17(9-19)8-11(17)15(23)24/h1-7,11H,8H2,(H,20,25)(H,23,24)
InChIKeyXAODIKWMTZHELW-UHFFFAOYSA-N
MW341.30 g/mol
LogP1.53
Rot. Bonds4

About 2-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid

2-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 66882344) has the molecular formula C17H12FN3O4 and a molecular weight of 341.30 g/mol. Its IUPAC name is 2-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID66882344
Molecular FormulaC17H12FN3O4
Molecular Weight341.30 g/mol
Exact Mass341.08
IUPAC Name2-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESN#CC1(C(=O)Nc2ccc(-n3ccccc3=O)cc2F)CC1C(=O)O
InChIInChI=1S/C17H12FN3O4/c18-12-7-10(21-6-2-1-3-14(21)22)4-5-13(12)20-16(25)17(9-19)8-11(17)15(23)24/h1-7,11H,8H2,(H,20,25)(H,23,24)
InChIKeyXAODIKWMTZHELW-UHFFFAOYSA-N
XLogP1.53
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 66882344) is 2-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is N#CC1(C(=O)Nc2ccc(-n3ccccc3=O)cc2F)CC1C(=O)O.
What is the InChIKey of 2-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is XAODIKWMTZHELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O4/c18-12-7-10(21-6-2-1-3-14(21)22)4-5-13(12)20-16(25)17(9-19)8-11(17)15(23)24/h1-7,11H,8H2,(H,20,25)(H,23,24).
What are the key properties of 2-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
2-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 341.30 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 66882344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).