3-(3,6-dichlorocarbazol-9-yl)propanoic acid

C15H11Cl2NO2 — CID 789915

IUPAC3-(3,6-dichlorocarbazol-9-yl)propanoic acid
SMILESO=C(O)CCn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C15H11Cl2NO2/c16-9-1-3-13-11(7-9)12-8-10(17)2-4-14(12)18(13)6-5-15(19)20/h1-4,7-8H,5-6H2,(H,19,20)
InChIKeyKDYNAXRKXFKHLN-UHFFFAOYSA-N
MW308.16 g/mol
LogP4.58
Rot. Bonds3

About 3-(3,6-dichlorocarbazol-9-yl)propanoic acid

3-(3,6-dichlorocarbazol-9-yl)propanoic acid (PubChem CID 789915) has the molecular formula C15H11Cl2NO2 and a molecular weight of 308.16 g/mol. Its IUPAC name is 3-(3,6-dichlorocarbazol-9-yl)propanoic acid.

Molecular Properties

Compound Name3-(3,6-dichlorocarbazol-9-yl)propanoic acid
PubChem CID789915
Molecular FormulaC15H11Cl2NO2
Molecular Weight308.16 g/mol
Exact Mass307.02
IUPAC Name3-(3,6-dichlorocarbazol-9-yl)propanoic acid
SMILESO=C(O)CCn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C15H11Cl2NO2/c16-9-1-3-13-11(7-9)12-8-10(17)2-4-14(12)18(13)6-5-15(19)20/h1-4,7-8H,5-6H2,(H,19,20)
InChIKeyKDYNAXRKXFKHLN-UHFFFAOYSA-N
XLogP4.58
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.16
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dichlorocarbazol-9-yl)propanoic acid?
The IUPAC name of 3-(3,6-dichlorocarbazol-9-yl)propanoic acid (CID 789915) is 3-(3,6-dichlorocarbazol-9-yl)propanoic acid.
What is the SMILES notation for 3-(3,6-dichlorocarbazol-9-yl)propanoic acid?
The canonical SMILES for 3-(3,6-dichlorocarbazol-9-yl)propanoic acid is O=C(O)CCn1c2ccc(Cl)cc2c2cc(Cl)ccc21.
What is the InChIKey of 3-(3,6-dichlorocarbazol-9-yl)propanoic acid?
The InChIKey is KDYNAXRKXFKHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO2/c16-9-1-3-13-11(7-9)12-8-10(17)2-4-14(12)18(13)6-5-15(19)20/h1-4,7-8H,5-6H2,(H,19,20).
What are the key properties of 3-(3,6-dichlorocarbazol-9-yl)propanoic acid?
3-(3,6-dichlorocarbazol-9-yl)propanoic acid has a molecular weight of 308.16 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dichlorocarbazol-9-yl)propanoic acid is sourced from PubChem (CID 789915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).