6,9-difluoro-3-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

C12H12F2N2 — CID 146300112

IUPAC6,9-difluoro-3-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
SMILESCC1Cc2[nH]c3c(F)ccc(F)c3c2CN1
InChIInChI=1S/C12H12F2N2/c1-6-4-10-7(5-15-6)11-8(13)2-3-9(14)12(11)16-10/h2-3,6,15-16H,4-5H2,1H3
InChIKeyYONGIKLVTFWGMA-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.48
Rot. Bonds

About 6,9-difluoro-3-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

6,9-difluoro-3-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole (PubChem CID 146300112) has the molecular formula C12H12F2N2 and a molecular weight of 222.24 g/mol. Its IUPAC name is 6,9-difluoro-3-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name6,9-difluoro-3-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
PubChem CID146300112
Molecular FormulaC12H12F2N2
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name6,9-difluoro-3-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
SMILESCC1Cc2[nH]c3c(F)ccc(F)c3c2CN1
InChIInChI=1S/C12H12F2N2/c1-6-4-10-7(5-15-6)11-8(13)2-3-9(14)12(11)16-10/h2-3,6,15-16H,4-5H2,1H3
InChIKeyYONGIKLVTFWGMA-UHFFFAOYSA-N
XLogP2.48
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,9-difluoro-3-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 6,9-difluoro-3-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole (CID 146300112) is 6,9-difluoro-3-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 6,9-difluoro-3-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 6,9-difluoro-3-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole is CC1Cc2[nH]c3c(F)ccc(F)c3c2CN1.
What is the InChIKey of 6,9-difluoro-3-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
The InChIKey is YONGIKLVTFWGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2/c1-6-4-10-7(5-15-6)11-8(13)2-3-9(14)12(11)16-10/h2-3,6,15-16H,4-5H2,1H3.
What are the key properties of 6,9-difluoro-3-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
6,9-difluoro-3-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole has a molecular weight of 222.24 g/mol, XLogP of 2.48, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-difluoro-3-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 146300112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).