9-(difluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole

C12H12F2N2 — CID 141242559

IUPAC9-(difluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole
SMILESFC(F)C1C=CC=C2N=C3CCNCC3=C21
InChIInChI=1S/C12H12F2N2/c13-12(14)7-2-1-3-10-11(7)8-6-15-5-4-9(8)16-10/h1-3,7,12,15H,4-6H2
InChIKeyLJBWTSCJYCSVEY-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.07
Rot. Bonds1

About 9-(difluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole

9-(difluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole (PubChem CID 141242559) has the molecular formula C12H12F2N2 and a molecular weight of 222.24 g/mol. Its IUPAC name is 9-(difluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name9-(difluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole
PubChem CID141242559
Molecular FormulaC12H12F2N2
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name9-(difluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole
SMILESFC(F)C1C=CC=C2N=C3CCNCC3=C21
InChIInChI=1S/C12H12F2N2/c13-12(14)7-2-1-3-10-11(7)8-6-15-5-4-9(8)16-10/h1-3,7,12,15H,4-6H2
InChIKeyLJBWTSCJYCSVEY-UHFFFAOYSA-N
XLogP2.07
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-methyl-2-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline
CID 136645338
8-methyl-2-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)-9H-pyrrolo[3,2-h]quinoline
CID 136645340
N-[1-(methylideneamino)ethenyl]-6-(trifluoromethyl)-2,3,6,7-tetrahydro-1H-quinolin-4-imine
CID 163489310
5-ethyl-2-fluoro-3-piperazin-1-yl-5H-indole
CID 175207227
Hexahydroazonino[5,6-b]indole
CID 129799442
4-[5-(trifluoromethyl)-2H-pyrrol-3-yl]piperidine
CID 161322610
2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole
CID 15887273
2,3,4,5-tetrahydro-1H-pyrido[3,4-b]indole
CID 22018480
2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride
CID 22917775
2-piperidin-4-yl-2H-indole
CID 69374500
2,3,4,4a,5,6-hexahydro-1H-pyrido[3,4-b]indole
CID 69397600
2,3-Dimethylidene-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 91024706

Frequently Asked Questions

What is the IUPAC name of 9-(difluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 9-(difluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole (CID 141242559) is 9-(difluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 9-(difluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 9-(difluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole is FC(F)C1C=CC=C2N=C3CCNCC3=C21.
What is the InChIKey of 9-(difluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole?
The InChIKey is LJBWTSCJYCSVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2/c13-12(14)7-2-1-3-10-11(7)8-6-15-5-4-9(8)16-10/h1-3,7,12,15H,4-6H2.
What are the key properties of 9-(difluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole?
9-(difluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole has a molecular weight of 222.24 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(difluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 141242559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).