8-fluoro-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride

C19H19ClFN3 — CID 140550812

About 8-fluoro-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride

8-fluoro-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride (PubChem CID 140550812) has the molecular formula C19H19ClFN3 and a molecular weight of 343.83 g/mol. Its IUPAC name is 8-fluoro-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride.

Molecular Properties

• Compound Name: 8-fluoro-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
• PubChem CID: 140550812
• Molecular Formula: C19H19ClFN3
• Molecular Weight: 343.83 g/mol
• Exact Mass: 343.13
• IUPAC Name: 8-fluoro-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
• SMILES: CN1CCc2c(c3cc(F)ccc3n2/C=C/c2ccccn2)C1.Cl
• InChI: InChI=1S/C19H18FN3.ClH/c1-22-10-8-19-17(13-22)16-12-14(20)5-6-18(16)23(19)11-7-15-4-2-3-9-21-15;/h2-7,9,11-12H,8,10,13H2,1H3;1H/b11-7+
• InChIKey: MJLMQTKTUWUPKM-RVDQCCQOSA-N
• XLogP: 4.21
• TPSA: 21.06 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.83
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride?

The IUPAC name of 8-fluoro-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride (CID 140550812) is 8-fluoro-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride.

What is the SMILES notation for 8-fluoro-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride?

The canonical SMILES for 8-fluoro-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride is CN1CCc2c(c3cc(F)ccc3n2/C=C/c2ccccn2)C1.Cl.

What is the InChIKey of 8-fluoro-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride?

The InChIKey is MJLMQTKTUWUPKM-RVDQCCQOSA-N. The full InChI is InChI=1S/C19H18FN3.ClH/c1-22-10-8-19-17(13-22)16-12-14(20)5-6-18(16)23(19)11-7-15-4-2-3-9-21-15;/h2-7,9,11-12H,8,10,13H2,1H3;1H/b11-7+;.

What are the key properties of 8-fluoro-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride?

8-fluoro-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride has a molecular weight of 343.83 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-fluoro-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride is sourced from PubChem (CID 140550812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).