2-(6-chloro-9H-carbazol-2-yl)propanoic acid

C15H12ClNO2 — CID 2581

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IUPAC2-(6-chloro-9H-carbazol-2-yl)propanoic acid
SMILESCC(C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12
InChIInChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)
InChIKeyPUXBGTOOZJQSKH-UHFFFAOYSA-N
MW273.72 g/mol
LogP4.16
Rot. Bonds2

About 2-(6-chloro-9H-carbazol-2-yl)propanoic acid

2-(6-chloro-9H-carbazol-2-yl)propanoic acid (PubChem CID 2581) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-(6-chloro-9H-carbazol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(6-chloro-9H-carbazol-2-yl)propanoic acid
PubChem CID2581
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name2-(6-chloro-9H-carbazol-2-yl)propanoic acid
SMILESCC(C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12
InChIInChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)
InChIKeyPUXBGTOOZJQSKH-UHFFFAOYSA-N
XLogP4.16
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methyl-1H-indole-3-acetic acid
CID 589107
(2,4,7-trimethyl-1H-indol-3-yl)acetic acid
CID 228480
(+)-Carprofen
CID 667685
5-Chloro-3-methyl-1H-indole-2-carboxylic acid
CID 3159706
5-Chloroindole-3-acetic acid
CID 150949
2-(5-chloro-2-methyl-1H-indol-3-yl)acetic acid
CID 2068157
6-chloro-2,3,4,9-tetrahydro-1H-carbazole-7-carboxylic acid
CID 1088982
3-[2-(3-chloro-2-methylphenyl)-1H-indol-5-yl]propanoic acid
CID 164613862
3-[2-(4-chloro-2-methylphenyl)-1H-indol-5-yl]propanoic acid
CID 164615766
(9-Methyl-9H-carbazol-2-yl)-acetic acid
CID 2295886
3-[2-(2-chlorophenyl)-1H-indol-5-yl]propanoic acid
CID 142738551
3-[2-(4-chlorophenyl)-1H-indol-5-yl]propanoic acid
CID 142738553

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-9H-carbazol-2-yl)propanoic acid?
The IUPAC name of 2-(6-chloro-9H-carbazol-2-yl)propanoic acid (CID 2581) is 2-(6-chloro-9H-carbazol-2-yl)propanoic acid.
What is the SMILES notation for 2-(6-chloro-9H-carbazol-2-yl)propanoic acid?
The canonical SMILES for 2-(6-chloro-9H-carbazol-2-yl)propanoic acid is CC(C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12.
What is the InChIKey of 2-(6-chloro-9H-carbazol-2-yl)propanoic acid?
The InChIKey is PUXBGTOOZJQSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19).
What are the key properties of 2-(6-chloro-9H-carbazol-2-yl)propanoic acid?
2-(6-chloro-9H-carbazol-2-yl)propanoic acid has a molecular weight of 273.72 g/mol, XLogP of 4.16, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-9H-carbazol-2-yl)propanoic acid is sourced from PubChem (CID 2581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).