7-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole

C18H14FN3 — CID 155583559

IUPAC7-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole
SMILESCc1cc2c(cn1)c1ccc(-c3cncc(F)c3)cc1n2C
InChIInChI=1S/C18H14FN3/c1-11-5-17-16(10-21-11)15-4-3-12(7-18(15)22(17)2)13-6-14(19)9-20-8-13/h3-10H,1-2H3
InChIKeyYFPBFAZOETTZME-UHFFFAOYSA-N
MW291.33 g/mol
LogP4.24
Rot. Bonds1

About 7-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole

7-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole (PubChem CID 155583559) has the molecular formula C18H14FN3 and a molecular weight of 291.33 g/mol. Its IUPAC name is 7-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole.

Molecular Properties

Compound Name7-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole
PubChem CID155583559
Molecular FormulaC18H14FN3
Molecular Weight291.33 g/mol
Exact Mass291.12
IUPAC Name7-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole
SMILESCc1cc2c(cn1)c1ccc(-c3cncc(F)c3)cc1n2C
InChIInChI=1S/C18H14FN3/c1-11-5-17-16(10-21-11)15-4-3-12(7-18(15)22(17)2)13-6-14(19)9-20-8-13/h3-10H,1-2H3
InChIKeyYFPBFAZOETTZME-UHFFFAOYSA-N
XLogP4.24
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole?
The IUPAC name of 7-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole (CID 155583559) is 7-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole.
What is the SMILES notation for 7-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole?
The canonical SMILES for 7-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole is Cc1cc2c(cn1)c1ccc(-c3cncc(F)c3)cc1n2C.
What is the InChIKey of 7-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole?
The InChIKey is YFPBFAZOETTZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3/c1-11-5-17-16(10-21-11)15-4-3-12(7-18(15)22(17)2)13-6-14(19)9-20-8-13/h3-10H,1-2H3.
What are the key properties of 7-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole?
7-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole has a molecular weight of 291.33 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole is sourced from PubChem (CID 155583559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).