7-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-5-methylpyrido[4,3-b]indole

C18H11ClF3N3 — CID 134481360

IUPAC7-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-5-methylpyrido[4,3-b]indole
SMILESCn1c2ccncc2c2ccc(-c3cnc(Cl)c(C(F)(F)F)c3)cc21
InChIInChI=1S/C18H11ClF3N3/c1-25-15-4-5-23-9-13(15)12-3-2-10(7-16(12)25)11-6-14(18(20,21)22)17(19)24-8-11/h2-9H,1H3
InChIKeyGDPIVEDWMLUKNT-UHFFFAOYSA-N
MW361.75 g/mol
LogP5.46
Rot. Bonds1

About 7-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-5-methylpyrido[4,3-b]indole

7-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-5-methylpyrido[4,3-b]indole (PubChem CID 134481360) has the molecular formula C18H11ClF3N3 and a molecular weight of 361.75 g/mol. Its IUPAC name is 7-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-5-methylpyrido[4,3-b]indole.

Molecular Properties

Compound Name7-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-5-methylpyrido[4,3-b]indole
PubChem CID134481360
Molecular FormulaC18H11ClF3N3
Molecular Weight361.75 g/mol
Exact Mass361.06
IUPAC Name7-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-5-methylpyrido[4,3-b]indole
SMILESCn1c2ccncc2c2ccc(-c3cnc(Cl)c(C(F)(F)F)c3)cc21
InChIInChI=1S/C18H11ClF3N3/c1-25-15-4-5-23-9-13(15)12-3-2-10(7-16(12)25)11-6-14(18(20,21)22)17(19)24-8-11/h2-9H,1H3
InChIKeyGDPIVEDWMLUKNT-UHFFFAOYSA-N
XLogP5.46
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.75
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-7-phenylpyrido[4,3-b]indole
CID 155583386
5-methyl-7-(6-piperidin-1-yl-3-pyridinyl)pyrido[4,3-b]indole
CID 134564253
7-(6-(18F)fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;methane;5-methyl-7-(6-methyl-3-pyridinyl)pyrido[4,3-b]indole;hydroiodide
CID 158006586
7-[6-[3-[(5-iodo-2-pyridinyl)oxy]cyclobutyl]oxy-3-pyridinyl]-5-methylpyrido[4,3-b]indole
CID 134481426
(5-methylpyrido[4,3-b]indol-7-yl)methanol
CID 116986177
5-(difluoromethyl)-7-[5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-b]indole
CID 155584256
5-methyl-7-[6-[3-(6-methylpyridazin-3-yl)oxycyclobutyl]oxy-3-pyridinyl]pyrido[4,3-b]indole
CID 134493002
7-[6-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-pyridinyl]-5-methylpyrido[4,3-b]indole
CID 170936017
2-methyl-2-(5-methylpyrido[4,3-b]indol-7-yl)propanenitrile
CID 116986204
tert-butyl 3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]azetidine-1-carboxylate
CID 134489141
2-[2-[2-[2-[2-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
CID 135261923
2-(5-methylpyrido[4,3-b]indol-8-yl)propan-2-ol
CID 116985992

Frequently Asked Questions

What is the IUPAC name of 7-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-5-methylpyrido[4,3-b]indole?
The IUPAC name of 7-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-5-methylpyrido[4,3-b]indole (CID 134481360) is 7-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-5-methylpyrido[4,3-b]indole.
What is the SMILES notation for 7-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-5-methylpyrido[4,3-b]indole?
The canonical SMILES for 7-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-5-methylpyrido[4,3-b]indole is Cn1c2ccncc2c2ccc(-c3cnc(Cl)c(C(F)(F)F)c3)cc21.
What is the InChIKey of 7-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-5-methylpyrido[4,3-b]indole?
The InChIKey is GDPIVEDWMLUKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF3N3/c1-25-15-4-5-23-9-13(15)12-3-2-10(7-16(12)25)11-6-14(18(20,21)22)17(19)24-8-11/h2-9H,1H3.
What are the key properties of 7-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-5-methylpyrido[4,3-b]indole?
7-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-5-methylpyrido[4,3-b]indole has a molecular weight of 361.75 g/mol, XLogP of 5.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-5-methylpyrido[4,3-b]indole is sourced from PubChem (CID 134481360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).