2-(8-chloro-9H-carbazol-1-yl)acetic acid

C14H10ClNO2 — CID 71340855

IUPAC2-(8-chloro-9H-carbazol-1-yl)acetic acid
SMILESO=C(O)Cc1cccc2c1[nH]c1c(Cl)cccc12
InChIInChI=1S/C14H10ClNO2/c15-11-6-2-5-10-9-4-1-3-8(7-12(17)18)13(9)16-14(10)11/h1-6,16H,7H2,(H,17,18)
InChIKeyNUTYGMIYEFIHFA-UHFFFAOYSA-N
MW259.69 g/mol
LogP3.60
Rot. Bonds2

About 2-(8-chloro-9H-carbazol-1-yl)acetic acid

2-(8-chloro-9H-carbazol-1-yl)acetic acid (PubChem CID 71340855) has the molecular formula C14H10ClNO2 and a molecular weight of 259.69 g/mol. Its IUPAC name is 2-(8-chloro-9H-carbazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(8-chloro-9H-carbazol-1-yl)acetic acid
PubChem CID71340855
Molecular FormulaC14H10ClNO2
Molecular Weight259.69 g/mol
Exact Mass259.04
IUPAC Name2-(8-chloro-9H-carbazol-1-yl)acetic acid
SMILESO=C(O)Cc1cccc2c1[nH]c1c(Cl)cccc12
InChIInChI=1S/C14H10ClNO2/c15-11-6-2-5-10-9-4-1-3-8(7-12(17)18)13(9)16-14(10)11/h1-6,16H,7H2,(H,17,18)
InChIKeyNUTYGMIYEFIHFA-UHFFFAOYSA-N
XLogP3.60
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-9H-carbazol-1-yl)acetic acid?
The IUPAC name of 2-(8-chloro-9H-carbazol-1-yl)acetic acid (CID 71340855) is 2-(8-chloro-9H-carbazol-1-yl)acetic acid.
What is the SMILES notation for 2-(8-chloro-9H-carbazol-1-yl)acetic acid?
The canonical SMILES for 2-(8-chloro-9H-carbazol-1-yl)acetic acid is O=C(O)Cc1cccc2c1[nH]c1c(Cl)cccc12.
What is the InChIKey of 2-(8-chloro-9H-carbazol-1-yl)acetic acid?
The InChIKey is NUTYGMIYEFIHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2/c15-11-6-2-5-10-9-4-1-3-8(7-12(17)18)13(9)16-14(10)11/h1-6,16H,7H2,(H,17,18).
What are the key properties of 2-(8-chloro-9H-carbazol-1-yl)acetic acid?
2-(8-chloro-9H-carbazol-1-yl)acetic acid has a molecular weight of 259.69 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloro-9H-carbazol-1-yl)acetic acid is sourced from PubChem (CID 71340855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).