2-chloro-1-ethoxy-3-methyl-9H-carbazole-4-carboxylic acid

C16H14ClNO3 — CID 69282857

IUPAC2-chloro-1-ethoxy-3-methyl-9H-carbazole-4-carboxylic acid
SMILESCCOc1c(Cl)c(C)c(C(=O)O)c2c1[nH]c1ccccc12
InChIInChI=1S/C16H14ClNO3/c1-3-21-15-13(17)8(2)11(16(19)20)12-9-6-4-5-7-10(9)18-14(12)15/h4-7,18H,3H2,1-2H3,(H,19,20)
InChIKeyGGQCUJLPIMYDFJ-UHFFFAOYSA-N
MW303.75 g/mol
LogP4.38
Rot. Bonds3

About 2-chloro-1-ethoxy-3-methyl-9H-carbazole-4-carboxylic acid

2-chloro-1-ethoxy-3-methyl-9H-carbazole-4-carboxylic acid (PubChem CID 69282857) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-chloro-1-ethoxy-3-methyl-9H-carbazole-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-1-ethoxy-3-methyl-9H-carbazole-4-carboxylic acid
PubChem CID69282857
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name2-chloro-1-ethoxy-3-methyl-9H-carbazole-4-carboxylic acid
SMILESCCOc1c(Cl)c(C)c(C(=O)O)c2c1[nH]c1ccccc12
InChIInChI=1S/C16H14ClNO3/c1-3-21-15-13(17)8(2)11(16(19)20)12-9-6-4-5-7-10(9)18-14(12)15/h4-7,18H,3H2,1-2H3,(H,19,20)
InChIKeyGGQCUJLPIMYDFJ-UHFFFAOYSA-N
XLogP4.38
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-9H-carbazole-3,4-dicarboxylic acid
CID 67894705
diethyl 4-methyl-5H-pyrido[4,3-b]indole-1,3-dicarboxylate
CID 102268938
ethyl 4-chloro-9H-carbazole-2-carboxylate
CID 59626415
2-chloro-9H-carbazole-1-carboxylic acid
CID 174862025
2-methyl-4H-thieno[3,2-b]indole-3-carboxylic acid
CID 12839105
6-chloro-3,4-diethoxy-2-methylbenzoic acid
CID 140590154
dimethyl 4-methyl-9H-carbazole-1,3-dicarboxylate
CID 132503759
2-(3-methyl-1H-indol-2-yl)-2-oxoacetic acid
CID 96619133
ethyl 2-amino-1H-indole-3-carboxylate
CID 1476606
2-(1-methyl-9H-carbazol-2-yl)acetic acid
CID 54249777
methyl 4-methyl-5H-pyrido[4,3-b]indole-1-carboxylate
CID 13351962
4-bromo-1-ethoxy-9H-carbazole
CID 69306295

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-ethoxy-3-methyl-9H-carbazole-4-carboxylic acid?
The IUPAC name of 2-chloro-1-ethoxy-3-methyl-9H-carbazole-4-carboxylic acid (CID 69282857) is 2-chloro-1-ethoxy-3-methyl-9H-carbazole-4-carboxylic acid.
What is the SMILES notation for 2-chloro-1-ethoxy-3-methyl-9H-carbazole-4-carboxylic acid?
The canonical SMILES for 2-chloro-1-ethoxy-3-methyl-9H-carbazole-4-carboxylic acid is CCOc1c(Cl)c(C)c(C(=O)O)c2c1[nH]c1ccccc12.
What is the InChIKey of 2-chloro-1-ethoxy-3-methyl-9H-carbazole-4-carboxylic acid?
The InChIKey is GGQCUJLPIMYDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-3-21-15-13(17)8(2)11(16(19)20)12-9-6-4-5-7-10(9)18-14(12)15/h4-7,18H,3H2,1-2H3,(H,19,20).
What are the key properties of 2-chloro-1-ethoxy-3-methyl-9H-carbazole-4-carboxylic acid?
2-chloro-1-ethoxy-3-methyl-9H-carbazole-4-carboxylic acid has a molecular weight of 303.75 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-ethoxy-3-methyl-9H-carbazole-4-carboxylic acid is sourced from PubChem (CID 69282857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).