N-(2-fluoro-3-pyridinyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

C15H9FN2O — CID 141293176

IUPACN-(2-fluoro-3-pyridinyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESO=C(Nc1cccnc1F)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C15H9FN2O/c16-14-13(2-1-5-17-14)18-15(19)10-4-3-9-11-6-8(11)7-12(9)10/h1-5,7H,6H2,(H,18,19)
InChIKeyQCWLXDDJCCOVMX-UHFFFAOYSA-N
MW252.25 g/mol
LogP2.67
Rot. Bonds2

About N-(2-fluoro-3-pyridinyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

N-(2-fluoro-3-pyridinyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 141293176) has the molecular formula C15H9FN2O and a molecular weight of 252.25 g/mol. Its IUPAC name is N-(2-fluoro-3-pyridinyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-3-pyridinyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID141293176
Molecular FormulaC15H9FN2O
Molecular Weight252.25 g/mol
Exact Mass252.07
IUPAC NameN-(2-fluoro-3-pyridinyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESO=C(Nc1cccnc1F)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C15H9FN2O/c16-14-13(2-1-5-17-14)18-15(19)10-4-3-9-11-6-8(11)7-12(9)10/h1-5,7H,6H2,(H,18,19)
InChIKeyQCWLXDDJCCOVMX-UHFFFAOYSA-N
XLogP2.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3-pyridinyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of N-(2-fluoro-3-pyridinyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 141293176) is N-(2-fluoro-3-pyridinyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.
What is the SMILES notation for N-(2-fluoro-3-pyridinyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-(2-fluoro-3-pyridinyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is O=C(Nc1cccnc1F)C1=C2C=C3CC3=C2C=C1.
What is the InChIKey of N-(2-fluoro-3-pyridinyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is QCWLXDDJCCOVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O/c16-14-13(2-1-5-17-14)18-15(19)10-4-3-9-11-6-8(11)7-12(9)10/h1-5,7H,6H2,(H,18,19).
What are the key properties of N-(2-fluoro-3-pyridinyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-(2-fluoro-3-pyridinyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide has a molecular weight of 252.25 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-3-pyridinyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 141293176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).