1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole

C12H10N2 — CID 46781679

IUPAC1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole
SMILES[2H]C([2H])([2H])c1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3/i1D3
InChIKeyPSFDQSOCUJVVGF-FIBGUPNXSA-N
MW185.24 g/mol
LogP3.02
Rot. Bonds1

About 1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole

1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole (PubChem CID 46781679) has the molecular formula C12H10N2 and a molecular weight of 185.24 g/mol. Its IUPAC name is 1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole
PubChem CID46781679
Molecular FormulaC12H10N2
Molecular Weight185.24 g/mol
Exact Mass185.10
IUPAC Name1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole
SMILES[2H]C([2H])([2H])c1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3/i1D3
InChIKeyPSFDQSOCUJVVGF-FIBGUPNXSA-N
XLogP3.02
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-methoxy-1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole
CID 170743594
1-(2-methylphenyl)-9H-pyrido[3,4-b]indole
CID 134147548
1-propyl-9H-pyrido[3,4-b]indole
CID 15381905
3,4-dideuterio-1-methyl-9H-pyrido[3,4-b]indole
CID 162640414
1-(2-propan-2-ylphenyl)-9H-pyrido[3,4-b]indole
CID 150354253
1-(3-methylbut-2-enyl)-9H-pyrido[3,4-b]indole
CID 163409626
N-(9H-pyrido[3,4-b]indol-1-yl)formamide
CID 174580946
1-pyrimidin-5-yl-9H-pyrido[3,4-b]indole
CID 175790323
N-[(Z)-3-(9H-pyrido[3,4-b]indol-1-yl)prop-1-enyl]ethanimine
CID 163547256
1-[2-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 66618059
1-(3,5-dimethoxyphenyl)-9H-pyrido[3,4-b]indole
CID 71740737
1-methyl-7-[(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)methoxy]-9H-pyrido[3,4-b]indole
CID 170384278

Frequently Asked Questions

What is the IUPAC name of 1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole?
The IUPAC name of 1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole (CID 46781679) is 1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole?
The canonical SMILES for 1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole is [2H]C([2H])([2H])c1nccc2c1[nH]c1ccccc12.
What is the InChIKey of 1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole?
The InChIKey is PSFDQSOCUJVVGF-FIBGUPNXSA-N. The full InChI is InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3/i1D3.
What are the key properties of 1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole?
1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole has a molecular weight of 185.24 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 46781679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).