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

C17H12FN3O4 — CID 66881969

IUPAC1-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESN#CC1(C(=O)O)CC1C(=O)Nc1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C17H12FN3O4/c18-12-7-10(21-6-2-1-3-14(21)22)4-5-13(12)20-15(23)11-8-17(11,9-19)16(24)25/h1-7,11H,8H2,(H,20,23)(H,24,25)
InChIKeyVKUZPNHCUJAKFX-UHFFFAOYSA-N
MW341.30 g/mol
LogP1.53
Rot. Bonds4

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

1-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 66881969) has the molecular formula C17H12FN3O4 and a molecular weight of 341.30 g/mol. Its IUPAC name is 1-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID66881969
Molecular FormulaC17H12FN3O4
Molecular Weight341.30 g/mol
Exact Mass341.08
IUPAC Name1-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESN#CC1(C(=O)O)CC1C(=O)Nc1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C17H12FN3O4/c18-12-7-10(21-6-2-1-3-14(21)22)4-5-13(12)20-15(23)11-8-17(11,9-19)16(24)25/h1-7,11H,8H2,(H,20,23)(H,24,25)
InChIKeyVKUZPNHCUJAKFX-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

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 66881969) is 1-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is N#CC1(C(=O)O)CC1C(=O)Nc1ccc(-n2ccccc2=O)cc1F.
What is the InChIKey of 1-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is VKUZPNHCUJAKFX-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)20-15(23)11-8-17(11,9-19)16(24)25/h1-7,11H,8H2,(H,20,23)(H,24,25).
What are the key properties of 1-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
1-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 1-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 66881969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).