7-nitro-3-phenyl-2-trimethylsilyl-1H-indole-5-carboxylic acid

C18H18N2O4Si — CID 167454940

IUPAC7-nitro-3-phenyl-2-trimethylsilyl-1H-indole-5-carboxylic acid
SMILESC[Si](C)(C)c1[nH]c2c([N+](=O)[O-])cc(C(=O)O)cc2c1-c1ccccc1
InChIInChI=1S/C18H18N2O4Si/c1-25(2,3)17-15(11-7-5-4-6-8-11)13-9-12(18(21)22)10-14(20(23)24)16(13)19-17/h4-10,19H,1-3H3,(H,21,22)
InChIKeyRKWDMCWHHUGWCN-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.99
Rot. Bonds4

About 7-nitro-3-phenyl-2-trimethylsilyl-1H-indole-5-carboxylic acid

7-nitro-3-phenyl-2-trimethylsilyl-1H-indole-5-carboxylic acid (PubChem CID 167454940) has the molecular formula C18H18N2O4Si and a molecular weight of 354.44 g/mol. Its IUPAC name is 7-nitro-3-phenyl-2-trimethylsilyl-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name7-nitro-3-phenyl-2-trimethylsilyl-1H-indole-5-carboxylic acid
PubChem CID167454940
Molecular FormulaC18H18N2O4Si
Molecular Weight354.44 g/mol
Exact Mass354.10
IUPAC Name7-nitro-3-phenyl-2-trimethylsilyl-1H-indole-5-carboxylic acid
SMILESC[Si](C)(C)c1[nH]c2c([N+](=O)[O-])cc(C(=O)O)cc2c1-c1ccccc1
InChIInChI=1S/C18H18N2O4Si/c1-25(2,3)17-15(11-7-5-4-6-8-11)13-9-12(18(21)22)10-14(20(23)24)16(13)19-17/h4-10,19H,1-3H3,(H,21,22)
InChIKeyRKWDMCWHHUGWCN-UHFFFAOYSA-N
XLogP3.99
TPSA96.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-methyl-3-nitrophenyl)-2-trimethylsilyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 172709352
4-nitro-1H-indazole-6-carboxylic acid
CID 24728271
9-nitro-2,7,12,17-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3(28),4,6,8,10,12,14,16(26),17,19,21,23-tridecaene
CID 136722397
4-(2,6-dinitrophenyl)benzoic acid
CID 150181338
(4-methyl-3,5-dinitrophenyl)-phenylmethanone
CID 15084102
3-chloro-4-methyl-5-nitrobenzoic acid
CID 22107457
4-(5-methyl-3-pyridinyl)-3-nitrobenzoic acid
CID 113326125
4-[10,15,20-tris(2-nitrophenyl)-21,23-dihydroporphyrin-5-yl]benzoic acid
CID 136829697
5-(7-nitro-3-phenyl-1H-indol-2-yl)-3H-1,3,4-oxadiazole-2-thione
CID 139220756
4-(methylamino)-3,5-dinitrobenzoic acid
CID 3533426
3-bromo-4-[tert-butyl(dimethyl)silyl]oxy-5-nitrobenzoic acid
CID 167738502
6-ethyl-3-nitro-4-phenylquinoline
CID 15035174

Frequently Asked Questions

What is the IUPAC name of 7-nitro-3-phenyl-2-trimethylsilyl-1H-indole-5-carboxylic acid?
The IUPAC name of 7-nitro-3-phenyl-2-trimethylsilyl-1H-indole-5-carboxylic acid (CID 167454940) is 7-nitro-3-phenyl-2-trimethylsilyl-1H-indole-5-carboxylic acid.
What is the SMILES notation for 7-nitro-3-phenyl-2-trimethylsilyl-1H-indole-5-carboxylic acid?
The canonical SMILES for 7-nitro-3-phenyl-2-trimethylsilyl-1H-indole-5-carboxylic acid is C[Si](C)(C)c1[nH]c2c([N+](=O)[O-])cc(C(=O)O)cc2c1-c1ccccc1.
What is the InChIKey of 7-nitro-3-phenyl-2-trimethylsilyl-1H-indole-5-carboxylic acid?
The InChIKey is RKWDMCWHHUGWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4Si/c1-25(2,3)17-15(11-7-5-4-6-8-11)13-9-12(18(21)22)10-14(20(23)24)16(13)19-17/h4-10,19H,1-3H3,(H,21,22).
What are the key properties of 7-nitro-3-phenyl-2-trimethylsilyl-1H-indole-5-carboxylic acid?
7-nitro-3-phenyl-2-trimethylsilyl-1H-indole-5-carboxylic acid has a molecular weight of 354.44 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-3-phenyl-2-trimethylsilyl-1H-indole-5-carboxylic acid is sourced from PubChem (CID 167454940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).