8-(6-fluoro-3-pyridinyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene

C19H17FN2 — CID 51360688

IUPAC8-(6-fluoro-3-pyridinyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
SMILESCn1ccc2c(-c3ccc(F)nc3)cc3c(c21)C1CCC3C1
InChIInChI=1S/C19H17FN2/c1-22-7-6-14-15(13-4-5-17(20)21-10-13)9-16-11-2-3-12(8-11)18(16)19(14)22/h4-7,9-12H,2-3,8H2,1H3
InChIKeyBJOVXTDNNPXWEA-UHFFFAOYSA-N
MW292.36 g/mol
LogP4.74
Rot. Bonds1

About 8-(6-fluoro-3-pyridinyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene

8-(6-fluoro-3-pyridinyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene (PubChem CID 51360688) has the molecular formula C19H17FN2 and a molecular weight of 292.36 g/mol. Its IUPAC name is 8-(6-fluoro-3-pyridinyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene.

Molecular Properties

Compound Name8-(6-fluoro-3-pyridinyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
PubChem CID51360688
Molecular FormulaC19H17FN2
Molecular Weight292.36 g/mol
Exact Mass292.14
IUPAC Name8-(6-fluoro-3-pyridinyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
SMILESCn1ccc2c(-c3ccc(F)nc3)cc3c(c21)C1CCC3C1
InChIInChI=1S/C19H17FN2/c1-22-7-6-14-15(13-4-5-17(20)21-10-13)9-16-11-2-3-12(8-11)18(16)19(14)22/h4-7,9-12H,2-3,8H2,1H3
InChIKeyBJOVXTDNNPXWEA-UHFFFAOYSA-N
XLogP4.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(6-fluoro-3-pyridinyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
The IUPAC name of 8-(6-fluoro-3-pyridinyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene (CID 51360688) is 8-(6-fluoro-3-pyridinyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene.
What is the SMILES notation for 8-(6-fluoro-3-pyridinyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
The canonical SMILES for 8-(6-fluoro-3-pyridinyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene is Cn1ccc2c(-c3ccc(F)nc3)cc3c(c21)C1CCC3C1.
What is the InChIKey of 8-(6-fluoro-3-pyridinyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
The InChIKey is BJOVXTDNNPXWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2/c1-22-7-6-14-15(13-4-5-17(20)21-10-13)9-16-11-2-3-12(8-11)18(16)19(14)22/h4-7,9-12H,2-3,8H2,1H3.
What are the key properties of 8-(6-fluoro-3-pyridinyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
8-(6-fluoro-3-pyridinyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene has a molecular weight of 292.36 g/mol, XLogP of 4.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-fluoro-3-pyridinyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene is sourced from PubChem (CID 51360688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).