2-methyl-1-(3-methylselenophen-2-yl)-[1]benzoselenolo[2,3-c]pyridin-2-ium

C17H14NSe2+ — CID 167427551

IUPAC2-methyl-1-(3-methylselenophen-2-yl)-[1]benzoselenolo[2,3-c]pyridin-2-ium
SMILESCc1cc[se]c1-c1c2[se]c3ccccc3c2cc[n+]1C
InChIInChI=1S/C17H14NSe2/c1-11-8-10-19-16(11)15-17-13(7-9-18(15)2)12-5-3-4-6-14(12)20-17/h3-10H,1-2H3/q+1
InChIKeyRWAHTHZEBMETTO-UHFFFAOYSA-N
MW390.23 g/mol
LogP2.91
Rot. Bonds1

About 2-methyl-1-(3-methylselenophen-2-yl)-[1]benzoselenolo[2,3-c]pyridin-2-ium

2-methyl-1-(3-methylselenophen-2-yl)-[1]benzoselenolo[2,3-c]pyridin-2-ium (PubChem CID 167427551) has the molecular formula C17H14NSe2+ and a molecular weight of 390.23 g/mol. Its IUPAC name is 2-methyl-1-(3-methylselenophen-2-yl)-[1]benzoselenolo[2,3-c]pyridin-2-ium.

Molecular Properties

Compound Name2-methyl-1-(3-methylselenophen-2-yl)-[1]benzoselenolo[2,3-c]pyridin-2-ium
PubChem CID167427551
Molecular FormulaC17H14NSe2+
Molecular Weight390.23 g/mol
Exact Mass391.95
IUPAC Name2-methyl-1-(3-methylselenophen-2-yl)-[1]benzoselenolo[2,3-c]pyridin-2-ium
SMILESCc1cc[se]c1-c1c2[se]c3ccccc3c2cc[n+]1C
InChIInChI=1S/C17H14NSe2/c1-11-8-10-19-16(11)15-17-13(7-9-18(15)2)12-5-3-4-6-14(12)20-17/h3-10H,1-2H3/q+1
InChIKeyRWAHTHZEBMETTO-UHFFFAOYSA-N
XLogP2.91
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.23
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

10-methyl-9-(1-methylnaphthalen-2-yl)-3,7-diselena-10-azoniatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaene
CID 167427603
ethane;3-methyl-4-(3-methyldibenzoselenophen-4-yl)dibenzoselenophene;propane
CID 145449711
14-methyl-15-phenyl-17-selena-5-aza-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene
CID 167427527
7-carbazol-9-yl-2-methyl-1-(3-methyl-1-benzoselenophen-2-yl)-[1]benzothiolo[3,2-c]pyridin-2-ium
CID 171458844
2-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)isoquinolin-2-ium
CID 123457115
1-(5-bromo-2-methylphenyl)-2-methylisoquinolin-2-ium
CID 123793734
4-(2-ethenyl-4-fluoro-5-methylphenyl)-3-methylbenzo[f]isoquinolin-3-ium
CID 123387981
3,10,14,15,20-pentamethyl-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene
CID 164722173
3-methyl-4-(2-methylphenyl)selenopheno[3,2-f]phthalazin-3-ium
CID 167427594
1-methylselenoxanthen-9-one
CID 154714839
2-(8-isocyano-3-methyldibenzoselenophen-4-yl)-1-methylpyridin-1-ium
CID 154615193
2-methyl-1-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]isoquinolin-2-ium
CID 123739246

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylselenophen-2-yl)-[1]benzoselenolo[2,3-c]pyridin-2-ium?
The IUPAC name of 2-methyl-1-(3-methylselenophen-2-yl)-[1]benzoselenolo[2,3-c]pyridin-2-ium (CID 167427551) is 2-methyl-1-(3-methylselenophen-2-yl)-[1]benzoselenolo[2,3-c]pyridin-2-ium.
What is the SMILES notation for 2-methyl-1-(3-methylselenophen-2-yl)-[1]benzoselenolo[2,3-c]pyridin-2-ium?
The canonical SMILES for 2-methyl-1-(3-methylselenophen-2-yl)-[1]benzoselenolo[2,3-c]pyridin-2-ium is Cc1cc[se]c1-c1c2[se]c3ccccc3c2cc[n+]1C.
What is the InChIKey of 2-methyl-1-(3-methylselenophen-2-yl)-[1]benzoselenolo[2,3-c]pyridin-2-ium?
The InChIKey is RWAHTHZEBMETTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14NSe2/c1-11-8-10-19-16(11)15-17-13(7-9-18(15)2)12-5-3-4-6-14(12)20-17/h3-10H,1-2H3/q+1.
What are the key properties of 2-methyl-1-(3-methylselenophen-2-yl)-[1]benzoselenolo[2,3-c]pyridin-2-ium?
2-methyl-1-(3-methylselenophen-2-yl)-[1]benzoselenolo[2,3-c]pyridin-2-ium has a molecular weight of 390.23 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylselenophen-2-yl)-[1]benzoselenolo[2,3-c]pyridin-2-ium is sourced from PubChem (CID 167427551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).