1-[(4-fluorophenyl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-4-carboxylic acid

C19H20FNO3 — CID 67519958

IUPAC1-[(4-fluorophenyl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(=O)n(Cc2ccc(F)cc2)c2c1CCCCCC2
InChIInChI=1S/C19H20FNO3/c20-14-9-7-13(8-10-14)12-21-17-6-4-2-1-3-5-15(17)16(19(23)24)11-18(21)22/h7-11H,1-6,12H2,(H,23,24)
InChIKeyJNGSJTDYHCKTJF-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.39
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-4-carboxylic acid

1-[(4-fluorophenyl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-4-carboxylic acid (PubChem CID 67519958) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-4-carboxylic acid
PubChem CID67519958
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name1-[(4-fluorophenyl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(=O)n(Cc2ccc(F)cc2)c2c1CCCCCC2
InChIInChI=1S/C19H20FNO3/c20-14-9-7-13(8-10-14)12-21-17-6-4-2-1-3-5-15(17)16(19(23)24)11-18(21)22/h7-11H,1-6,12H2,(H,23,24)
InChIKeyJNGSJTDYHCKTJF-UHFFFAOYSA-N
XLogP3.39
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(4-fluorophenyl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-4-carboxylic acid with MolForge

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Related Compounds

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1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxylic acid
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9-[(4-fluorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
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9-[(3-carboxyphenyl)methyl]-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid
CID 10405518
1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrrole-2-carboxylic acid
CID 84616609
2-[[1-[(4-fluorophenyl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]-2-(furan-2-yl)acetic acid
CID 67520097
1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4641825
5-[(2-fluorophenyl)methyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole-4-carboxylic acid
CID 44564616
1-[(4-fluorophenyl)methyl]azepan-2-one
CID 154273809
1-benzyl-4-(2-methylnaphthalen-1-yl)-5,6,7,8-tetrahydroquinolin-2-one
CID 101473083

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-4-carboxylic acid?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-4-carboxylic acid (CID 67519958) is 1-[(4-fluorophenyl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-4-carboxylic acid.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-4-carboxylic acid?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-4-carboxylic acid is O=C(O)c1cc(=O)n(Cc2ccc(F)cc2)c2c1CCCCCC2.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-4-carboxylic acid?
The InChIKey is JNGSJTDYHCKTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c20-14-9-7-13(8-10-14)12-21-17-6-4-2-1-3-5-15(17)16(19(23)24)11-18(21)22/h7-11H,1-6,12H2,(H,23,24).
What are the key properties of 1-[(4-fluorophenyl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-4-carboxylic acid?
1-[(4-fluorophenyl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-4-carboxylic acid has a molecular weight of 329.37 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-4-carboxylic acid is sourced from PubChem (CID 67519958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).