3,4-dideuterio-1-methyl-9H-pyrido[3,4-b]indole

C12H10N2 — CID 162640414

IUPAC3,4-dideuterio-1-methyl-9H-pyrido[3,4-b]indole
SMILES[2H]c1nc(C)c2[nH]c3ccccc3c2c1[2H]
InChIInChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3/i6D,7D
InChIKeyPSFDQSOCUJVVGF-QFIQSOQBSA-N
MW184.24 g/mol
LogP3.02
Rot. Bonds

About 3,4-dideuterio-1-methyl-9H-pyrido[3,4-b]indole

3,4-dideuterio-1-methyl-9H-pyrido[3,4-b]indole (PubChem CID 162640414) has the molecular formula C12H10N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3,4-dideuterio-1-methyl-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name3,4-dideuterio-1-methyl-9H-pyrido[3,4-b]indole
PubChem CID162640414
Molecular FormulaC12H10N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name3,4-dideuterio-1-methyl-9H-pyrido[3,4-b]indole
SMILES[2H]c1nc(C)c2[nH]c3ccccc3c2c1[2H]
InChIInChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3/i6D,7D
InChIKeyPSFDQSOCUJVVGF-QFIQSOQBSA-N
XLogP3.02
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,6-dideuterio-11,12-dihydroindolo[2,3-a]carbazole
CID 172776926
1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole
CID 46781679
1-(2-methylphenyl)-9H-pyrido[3,4-b]indole
CID 134147548
bis(9H-carbazole);ethane
CID 145072085
9H-carbazole;ethane
CID 91098062
4-methoxy-1-methyl-9H-pyrido[3,4-b]indole
CID 11481274
9H-carbazole
CID 66668984
1-[2-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 66618059
5-methyl-11H-benzo[a]carbazole
CID 6454977
bromomethane;9H-carbazole
CID 67594562
3,4-dideuterio-6,6,9,9-tetramethyl-1-(3-methyl-9H-carbazol-1-yl)-7,8-dihydrobenzo[g]isoquinoline
CID 176812379
9H-carbazole;copper
CID 159878189

Frequently Asked Questions

What is the IUPAC name of 3,4-dideuterio-1-methyl-9H-pyrido[3,4-b]indole?
The IUPAC name of 3,4-dideuterio-1-methyl-9H-pyrido[3,4-b]indole (CID 162640414) is 3,4-dideuterio-1-methyl-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 3,4-dideuterio-1-methyl-9H-pyrido[3,4-b]indole?
The canonical SMILES for 3,4-dideuterio-1-methyl-9H-pyrido[3,4-b]indole is [2H]c1nc(C)c2[nH]c3ccccc3c2c1[2H].
What is the InChIKey of 3,4-dideuterio-1-methyl-9H-pyrido[3,4-b]indole?
The InChIKey is PSFDQSOCUJVVGF-QFIQSOQBSA-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/i6D,7D.
What are the key properties of 3,4-dideuterio-1-methyl-9H-pyrido[3,4-b]indole?
3,4-dideuterio-1-methyl-9H-pyrido[3,4-b]indole has a molecular weight of 184.24 g/mol, XLogP of 3.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dideuterio-1-methyl-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 162640414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).