ethyl 4-chloro-9H-carbazole-2-carboxylate

C15H12ClNO2 — CID 59626415

IUPACethyl 4-chloro-9H-carbazole-2-carboxylate
SMILESCCOC(=O)c1cc(Cl)c2c(c1)[nH]c1ccccc12
InChIInChI=1S/C15H12ClNO2/c1-2-19-15(18)9-7-11(16)14-10-5-3-4-6-12(10)17-13(14)8-9/h3-8,17H,2H2,1H3
InChIKeyRPNNYSVNTRVJGT-UHFFFAOYSA-N
MW273.72 g/mol
LogP4.15
Rot. Bonds2

About ethyl 4-chloro-9H-carbazole-2-carboxylate

ethyl 4-chloro-9H-carbazole-2-carboxylate (PubChem CID 59626415) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is ethyl 4-chloro-9H-carbazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-9H-carbazole-2-carboxylate
PubChem CID59626415
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Nameethyl 4-chloro-9H-carbazole-2-carboxylate
SMILESCCOC(=O)c1cc(Cl)c2c(c1)[nH]c1ccccc12
InChIInChI=1S/C15H12ClNO2/c1-2-19-15(18)9-7-11(16)14-10-5-3-4-6-12(10)17-13(14)8-9/h3-8,17H,2H2,1H3
InChIKeyRPNNYSVNTRVJGT-UHFFFAOYSA-N
XLogP4.15
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethyl 4-chloro-9H-carbazole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-methyl-9H-carbazole-2-carboxylate
CID 14636527
ethyl 5,7-dichloro-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-11-carboxylate
CID 10715804
ethyl 3,4,5-trichlorobenzoate
CID 14692896
ethyl 2-amino-1H-indole-3-carboxylate
CID 1476606
ethyl 3,5-dichloro-4-[(2-chlorophenyl)methoxy]benzoate
CID 91682734
ethyl 5-fluoro-4-methyl-9H-carbazole-2-carboxylate
CID 59626434
ethyl 11-methyl-13-thia-8,10-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,11,14-hexaene-15-carboxylate
CID 47079795
diethyl 4-methyl-5H-pyrido[4,3-b]indole-1,3-dicarboxylate
CID 102268938
ethyl 4-[2-(2-phenyl-1H-indol-3-yl)phenyl]benzoate
CID 11441462
ethyl 4-phenyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 12795664
ethyl 4-hydroxy-1H-indole-6-carboxylate
CID 53399512
ethyl 2-acetyl-1H-indole-3-carboxylate
CID 71162213

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-9H-carbazole-2-carboxylate?
The IUPAC name of ethyl 4-chloro-9H-carbazole-2-carboxylate (CID 59626415) is ethyl 4-chloro-9H-carbazole-2-carboxylate.
What is the SMILES notation for ethyl 4-chloro-9H-carbazole-2-carboxylate?
The canonical SMILES for ethyl 4-chloro-9H-carbazole-2-carboxylate is CCOC(=O)c1cc(Cl)c2c(c1)[nH]c1ccccc12.
What is the InChIKey of ethyl 4-chloro-9H-carbazole-2-carboxylate?
The InChIKey is RPNNYSVNTRVJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c1-2-19-15(18)9-7-11(16)14-10-5-3-4-6-12(10)17-13(14)8-9/h3-8,17H,2H2,1H3.
What are the key properties of ethyl 4-chloro-9H-carbazole-2-carboxylate?
ethyl 4-chloro-9H-carbazole-2-carboxylate has a molecular weight of 273.72 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-9H-carbazole-2-carboxylate is sourced from PubChem (CID 59626415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).