1-(4-fluorophenyl)-4-oxo-6-[(E)-2-pyridin-3-ylethenyl]pyridine-3-carboxylic acid

C19H13FN2O3 — CID 6366198

IUPAC1-(4-fluorophenyl)-4-oxo-6-[(E)-2-pyridin-3-ylethenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(F)cc2)c(/C=C/c2cccnc2)cc1=O
InChIInChI=1S/C19H13FN2O3/c20-14-4-7-15(8-5-14)22-12-17(19(24)25)18(23)10-16(22)6-3-13-2-1-9-21-11-13/h1-12H,(H,24,25)/b6-3+
InChIKeyMBIKAEYGSYDDAA-ZZXKWVIFSA-N
MW336.32 g/mol
LogP3.24
Rot. Bonds4

About 1-(4-fluorophenyl)-4-oxo-6-[(E)-2-pyridin-3-ylethenyl]pyridine-3-carboxylic acid

1-(4-fluorophenyl)-4-oxo-6-[(E)-2-pyridin-3-ylethenyl]pyridine-3-carboxylic acid (PubChem CID 6366198) has the molecular formula C19H13FN2O3 and a molecular weight of 336.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-oxo-6-[(E)-2-pyridin-3-ylethenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-oxo-6-[(E)-2-pyridin-3-ylethenyl]pyridine-3-carboxylic acid
PubChem CID6366198
Molecular FormulaC19H13FN2O3
Molecular Weight336.32 g/mol
Exact Mass336.09
IUPAC Name1-(4-fluorophenyl)-4-oxo-6-[(E)-2-pyridin-3-ylethenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(F)cc2)c(/C=C/c2cccnc2)cc1=O
InChIInChI=1S/C19H13FN2O3/c20-14-4-7-15(8-5-14)22-12-17(19(24)25)18(23)10-16(22)6-3-13-2-1-9-21-11-13/h1-12H,(H,24,25)/b6-3+
InChIKeyMBIKAEYGSYDDAA-ZZXKWVIFSA-N
XLogP3.24
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-oxo-6-[(E)-2-pyridin-3-ylethenyl]pyridine-3-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)-4-oxo-6-[(E)-2-pyridin-3-ylethenyl]pyridine-3-carboxylic acid (CID 6366198) is 1-(4-fluorophenyl)-4-oxo-6-[(E)-2-pyridin-3-ylethenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)-4-oxo-6-[(E)-2-pyridin-3-ylethenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)-4-oxo-6-[(E)-2-pyridin-3-ylethenyl]pyridine-3-carboxylic acid is O=C(O)c1cn(-c2ccc(F)cc2)c(/C=C/c2cccnc2)cc1=O.
What is the InChIKey of 1-(4-fluorophenyl)-4-oxo-6-[(E)-2-pyridin-3-ylethenyl]pyridine-3-carboxylic acid?
The InChIKey is MBIKAEYGSYDDAA-ZZXKWVIFSA-N. The full InChI is InChI=1S/C19H13FN2O3/c20-14-4-7-15(8-5-14)22-12-17(19(24)25)18(23)10-16(22)6-3-13-2-1-9-21-11-13/h1-12H,(H,24,25)/b6-3+.
What are the key properties of 1-(4-fluorophenyl)-4-oxo-6-[(E)-2-pyridin-3-ylethenyl]pyridine-3-carboxylic acid?
1-(4-fluorophenyl)-4-oxo-6-[(E)-2-pyridin-3-ylethenyl]pyridine-3-carboxylic acid has a molecular weight of 336.32 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-oxo-6-[(E)-2-pyridin-3-ylethenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 6366198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).