9H-carbazole-1-carboxylic acid;methyl 9H-carbazole-1-carboxylate

C27H20N2O4 — CID 175444407

IUPAC9H-carbazole-1-carboxylic acid;methyl 9H-carbazole-1-carboxylate
SMILESCOC(=O)c1cccc2c1[nH]c1ccccc12.O=C(O)c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C14H11NO2.C13H9NO2/c1-17-14(16)11-7-4-6-10-9-5-2-3-8-12(9)15-13(10)11;15-13(16)10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h2-8,15H,1H3;1-7,14H,(H,15,16)
InChIKeyMKOPJZWIDUZKSM-UHFFFAOYSA-N
MW436.47 g/mol
LogP6.13
Rot. Bonds2

About 9H-carbazole-1-carboxylic acid;methyl 9H-carbazole-1-carboxylate

9H-carbazole-1-carboxylic acid;methyl 9H-carbazole-1-carboxylate (PubChem CID 175444407) has the molecular formula C27H20N2O4 and a molecular weight of 436.47 g/mol. Its IUPAC name is 9H-carbazole-1-carboxylic acid;methyl 9H-carbazole-1-carboxylate.

Molecular Properties

Compound Name9H-carbazole-1-carboxylic acid;methyl 9H-carbazole-1-carboxylate
PubChem CID175444407
Molecular FormulaC27H20N2O4
Molecular Weight436.47 g/mol
Exact Mass436.14
IUPAC Name9H-carbazole-1-carboxylic acid;methyl 9H-carbazole-1-carboxylate
SMILESCOC(=O)c1cccc2c1[nH]c1ccccc12.O=C(O)c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C14H11NO2.C13H9NO2/c1-17-14(16)11-7-4-6-10-9-5-2-3-8-12(9)15-13(10)11;15-13(16)10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h2-8,15H,1H3;1-7,14H,(H,15,16)
InChIKeyMKOPJZWIDUZKSM-UHFFFAOYSA-N
XLogP6.13
TPSA95.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.47
LogP ≤ 56.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(9H-carbazole-1-carbonyl)benzoic acid
CID 54401477
ethane;methyl 8-methyl-9-oxo-10H-acridine-4-carboxylate
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methyl 2-oxo-10,21-diazapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),3(11),4,6,8,12,15,17,19-nonaene-12-carboxylate
CID 10593388
9H-carbazole-1-carboxamide;hydrochloride
CID 141272518
dimethyl 4-methyl-9H-carbazole-1,3-dicarboxylate
CID 132503759
dimethyl naphthalene-1,4-dicarboxylate;naphthalene-1,4-dicarboxylic acid
CID 162019069
3-hydroxy-9H-carbazole-1-carboxylic acid
CID 154084192
2-amino-3-methoxycarbonylbenzoic acid
CID 2794812
methyl 3-iodo-2-methyl-4-oxo-1H-quinoline-8-carboxylate
CID 102537528
2-(9H-carbazol-1-yl)-3-methoxy-3-oxopropanoic acid
CID 57131980
methyl 1-(3,4-dimethoxyphenyl)-9H-carbazole-2-carboxylate
CID 150364727
methyl 4-(1H-indol-3-yl)-9H-carbazole-1-carboxylate
CID 631008

Frequently Asked Questions

What is the IUPAC name of 9H-carbazole-1-carboxylic acid;methyl 9H-carbazole-1-carboxylate?
The IUPAC name of 9H-carbazole-1-carboxylic acid;methyl 9H-carbazole-1-carboxylate (CID 175444407) is 9H-carbazole-1-carboxylic acid;methyl 9H-carbazole-1-carboxylate.
What is the SMILES notation for 9H-carbazole-1-carboxylic acid;methyl 9H-carbazole-1-carboxylate?
The canonical SMILES for 9H-carbazole-1-carboxylic acid;methyl 9H-carbazole-1-carboxylate is COC(=O)c1cccc2c1[nH]c1ccccc12.O=C(O)c1cccc2c1[nH]c1ccccc12.
What is the InChIKey of 9H-carbazole-1-carboxylic acid;methyl 9H-carbazole-1-carboxylate?
The InChIKey is MKOPJZWIDUZKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2.C13H9NO2/c1-17-14(16)11-7-4-6-10-9-5-2-3-8-12(9)15-13(10)11;15-13(16)10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h2-8,15H,1H3;1-7,14H,(H,15,16).
What are the key properties of 9H-carbazole-1-carboxylic acid;methyl 9H-carbazole-1-carboxylate?
9H-carbazole-1-carboxylic acid;methyl 9H-carbazole-1-carboxylate has a molecular weight of 436.47 g/mol, XLogP of 6.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazole-1-carboxylic acid;methyl 9H-carbazole-1-carboxylate is sourced from PubChem (CID 175444407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).