2-(6-bromo-9H-carbazol-2-yl)acetic acid

C14H10BrNO2 — CID 2295979

IUPAC2-(6-bromo-9H-carbazol-2-yl)acetic acid
SMILESO=C(O)Cc1ccc2c(c1)[nH]c1ccc(Br)cc12
InChIInChI=1S/C14H10BrNO2/c15-9-2-4-12-11(7-9)10-3-1-8(6-14(17)18)5-13(10)16-12/h1-5,7,16H,6H2,(H,17,18)
InChIKeyUIUNPBLAXOCPDZ-UHFFFAOYSA-N
MW304.14 g/mol
LogP3.71
Rot. Bonds2

About 2-(6-bromo-9H-carbazol-2-yl)acetic acid

2-(6-bromo-9H-carbazol-2-yl)acetic acid (PubChem CID 2295979) has the molecular formula C14H10BrNO2 and a molecular weight of 304.14 g/mol. Its IUPAC name is 2-(6-bromo-9H-carbazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(6-bromo-9H-carbazol-2-yl)acetic acid
PubChem CID2295979
Molecular FormulaC14H10BrNO2
Molecular Weight304.14 g/mol
Exact Mass302.99
IUPAC Name2-(6-bromo-9H-carbazol-2-yl)acetic acid
SMILESO=C(O)Cc1ccc2c(c1)[nH]c1ccc(Br)cc12
InChIInChI=1S/C14H10BrNO2/c15-9-2-4-12-11(7-9)10-3-1-8(6-14(17)18)5-13(10)16-12/h1-5,7,16H,6H2,(H,17,18)
InChIKeyUIUNPBLAXOCPDZ-UHFFFAOYSA-N
XLogP3.71
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-9H-carbazol-2-yl)acetic acid?
The IUPAC name of 2-(6-bromo-9H-carbazol-2-yl)acetic acid (CID 2295979) is 2-(6-bromo-9H-carbazol-2-yl)acetic acid.
What is the SMILES notation for 2-(6-bromo-9H-carbazol-2-yl)acetic acid?
The canonical SMILES for 2-(6-bromo-9H-carbazol-2-yl)acetic acid is O=C(O)Cc1ccc2c(c1)[nH]c1ccc(Br)cc12.
What is the InChIKey of 2-(6-bromo-9H-carbazol-2-yl)acetic acid?
The InChIKey is UIUNPBLAXOCPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO2/c15-9-2-4-12-11(7-9)10-3-1-8(6-14(17)18)5-13(10)16-12/h1-5,7,16H,6H2,(H,17,18).
What are the key properties of 2-(6-bromo-9H-carbazol-2-yl)acetic acid?
2-(6-bromo-9H-carbazol-2-yl)acetic acid has a molecular weight of 304.14 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-9H-carbazol-2-yl)acetic acid is sourced from PubChem (CID 2295979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).