1-chloro-9H-carbazole-3,4-dicarboxylic acid

C14H8ClNO4 — CID 67894705

IUPAC1-chloro-9H-carbazole-3,4-dicarboxylic acid
SMILESO=C(O)c1cc(Cl)c2[nH]c3ccccc3c2c1C(=O)O
InChIInChI=1S/C14H8ClNO4/c15-8-5-7(13(17)18)11(14(19)20)10-6-3-1-2-4-9(6)16-12(8)10/h1-5,16H,(H,17,18)(H,19,20)
InChIKeyXBDUUSVGKQYJGZ-UHFFFAOYSA-N
MW289.67 g/mol
LogP3.37
Rot. Bonds2

About 1-chloro-9H-carbazole-3,4-dicarboxylic acid

1-chloro-9H-carbazole-3,4-dicarboxylic acid (PubChem CID 67894705) has the molecular formula C14H8ClNO4 and a molecular weight of 289.67 g/mol. Its IUPAC name is 1-chloro-9H-carbazole-3,4-dicarboxylic acid.

Molecular Properties

Compound Name1-chloro-9H-carbazole-3,4-dicarboxylic acid
PubChem CID67894705
Molecular FormulaC14H8ClNO4
Molecular Weight289.67 g/mol
Exact Mass289.01
IUPAC Name1-chloro-9H-carbazole-3,4-dicarboxylic acid
SMILESO=C(O)c1cc(Cl)c2[nH]c3ccccc3c2c1C(=O)O
InChIInChI=1S/C14H8ClNO4/c15-8-5-7(13(17)18)11(14(19)20)10-6-3-1-2-4-9(6)16-12(8)10/h1-5,16H,(H,17,18)(H,19,20)
InChIKeyXBDUUSVGKQYJGZ-UHFFFAOYSA-N
XLogP3.37
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.67
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-9H-carbazole-1-carboxylic acid
CID 174862025
2-(9H-carbazole-1-carbonyl)benzoic acid
CID 54401477
2-chloro-1-ethoxy-3-methyl-9H-carbazole-4-carboxylic acid
CID 69282857
3-hydroxy-9H-carbazole-1-carboxylic acid
CID 154084192
14-oxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,12,15,17,19,21-decaene-12-carboxylic acid
CID 16750098
5H-pyridazino[4,5-b]indole-1,4-dicarboxylic acid
CID 91128673
naphthalene-1,2,4,8-tetracarboxylic acid
CID 21270256
2-iodo-9-oxo-10H-acridine-4-carboxylic acid
CID 59228731
2-methyl-4H-thieno[3,2-b]indole-3-carboxylic acid
CID 12839105
4-[(2-chloro-4-pyridinyl)methyl]-3-fluoro-9H-carbazole-1-carboxylic acid
CID 130362569
9H-carbazole;carbonic acid
CID 67577328
3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 102175677

Frequently Asked Questions

What is the IUPAC name of 1-chloro-9H-carbazole-3,4-dicarboxylic acid?
The IUPAC name of 1-chloro-9H-carbazole-3,4-dicarboxylic acid (CID 67894705) is 1-chloro-9H-carbazole-3,4-dicarboxylic acid.
What is the SMILES notation for 1-chloro-9H-carbazole-3,4-dicarboxylic acid?
The canonical SMILES for 1-chloro-9H-carbazole-3,4-dicarboxylic acid is O=C(O)c1cc(Cl)c2[nH]c3ccccc3c2c1C(=O)O.
What is the InChIKey of 1-chloro-9H-carbazole-3,4-dicarboxylic acid?
The InChIKey is XBDUUSVGKQYJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO4/c15-8-5-7(13(17)18)11(14(19)20)10-6-3-1-2-4-9(6)16-12(8)10/h1-5,16H,(H,17,18)(H,19,20).
What are the key properties of 1-chloro-9H-carbazole-3,4-dicarboxylic acid?
1-chloro-9H-carbazole-3,4-dicarboxylic acid has a molecular weight of 289.67 g/mol, XLogP of 3.37, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-9H-carbazole-3,4-dicarboxylic acid is sourced from PubChem (CID 67894705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).