methyl 7-chloro-3-phenyl-1H-indole-2-carboxylate

C16H12ClNO2 — CID 166475893

IUPACmethyl 7-chloro-3-phenyl-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1
InChIInChI=1S/C16H12ClNO2/c1-20-16(19)15-13(10-6-3-2-4-7-10)11-8-5-9-12(17)14(11)18-15/h2-9,18H,1H3
InChIKeyQGKPNGDSAPINJR-UHFFFAOYSA-N
MW285.73 g/mol
LogP4.27
Rot. Bonds2

About methyl 7-chloro-3-phenyl-1H-indole-2-carboxylate

methyl 7-chloro-3-phenyl-1H-indole-2-carboxylate (PubChem CID 166475893) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is methyl 7-chloro-3-phenyl-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-chloro-3-phenyl-1H-indole-2-carboxylate
PubChem CID166475893
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Namemethyl 7-chloro-3-phenyl-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1
InChIInChI=1S/C16H12ClNO2/c1-20-16(19)15-13(10-6-3-2-4-7-10)11-8-5-9-12(17)14(11)18-15/h2-9,18H,1H3
InChIKeyQGKPNGDSAPINJR-UHFFFAOYSA-N
XLogP4.27
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3,5-diphenyl-1H-indole-2-carboxylate
CID 135386958
5,7-dichloro-3-phenyl-1H-indole-2-carboxylic acid
CID 94830117
methyl 4-(4-methoxyphenyl)-1-oxo-2H-isoquinoline-3-carboxylate
CID 134913436
methyl 3-(3-chlorophenyl)-5,6-dimethoxy-1H-indole-2-carboxylate
CID 11573768
[2-[[(7-chloro-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 126402419
7-chloro-3-cyclopropyl-1H-indole-2-carboxylic acid
CID 166475916
methyl 7-chloro-2-(trifluoromethyl)-1H-indole-3-carboxylate
CID 141445406
[4-[[(7-chloro-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]-2-ethoxyphenyl] benzoate
CID 126401369
7-fluoro-3-phenyl-1H-indole-2-carboxylic acid
CID 70139049
[2-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 126402030
[2,4-dibromo-6-[[(7-chloro-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 126399243
3-bromo-7-chloro-1H-indole-2-carboxylic acid
CID 84810523

Frequently Asked Questions

What is the IUPAC name of methyl 7-chloro-3-phenyl-1H-indole-2-carboxylate?
The IUPAC name of methyl 7-chloro-3-phenyl-1H-indole-2-carboxylate (CID 166475893) is methyl 7-chloro-3-phenyl-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 7-chloro-3-phenyl-1H-indole-2-carboxylate?
The canonical SMILES for methyl 7-chloro-3-phenyl-1H-indole-2-carboxylate is COC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1.
What is the InChIKey of methyl 7-chloro-3-phenyl-1H-indole-2-carboxylate?
The InChIKey is QGKPNGDSAPINJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2/c1-20-16(19)15-13(10-6-3-2-4-7-10)11-8-5-9-12(17)14(11)18-15/h2-9,18H,1H3.
What are the key properties of methyl 7-chloro-3-phenyl-1H-indole-2-carboxylate?
methyl 7-chloro-3-phenyl-1H-indole-2-carboxylate has a molecular weight of 285.73 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-chloro-3-phenyl-1H-indole-2-carboxylate is sourced from PubChem (CID 166475893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).