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

C16H14ClNO2 — CID 10446783

IUPAC2-(6-chloro-9H-carbazol-2-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12
InChIInChI=1S/C16H14ClNO2/c1-16(2,15(19)20)9-3-5-11-12-8-10(17)4-6-13(12)18-14(11)7-9/h3-8,18H,1-2H3,(H,19,20)
InChIKeyLYLKRAQBZHOQKU-UHFFFAOYSA-N
MW287.75 g/mol
LogP4.34
Rot. Bonds2

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

2-(6-chloro-9H-carbazol-2-yl)-2-methylpropanoic acid (PubChem CID 10446783) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 2-(6-chloro-9H-carbazol-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(6-chloro-9H-carbazol-2-yl)-2-methylpropanoic acid
PubChem CID10446783
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name2-(6-chloro-9H-carbazol-2-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12
InChIInChI=1S/C16H14ClNO2/c1-16(2,15(19)20)9-3-5-11-12-8-10(17)4-6-13(12)18-14(11)7-9/h3-8,18H,1-2H3,(H,19,20)
InChIKeyLYLKRAQBZHOQKU-UHFFFAOYSA-N
XLogP4.34
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-9H-carbazol-2-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(6-chloro-9H-carbazol-2-yl)-2-methylpropanoic acid (CID 10446783) is 2-(6-chloro-9H-carbazol-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(6-chloro-9H-carbazol-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(6-chloro-9H-carbazol-2-yl)-2-methylpropanoic acid is CC(C)(C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12.
What is the InChIKey of 2-(6-chloro-9H-carbazol-2-yl)-2-methylpropanoic acid?
The InChIKey is LYLKRAQBZHOQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-16(2,15(19)20)9-3-5-11-12-8-10(17)4-6-13(12)18-14(11)7-9/h3-8,18H,1-2H3,(H,19,20).
What are the key properties of 2-(6-chloro-9H-carbazol-2-yl)-2-methylpropanoic acid?
2-(6-chloro-9H-carbazol-2-yl)-2-methylpropanoic acid has a molecular weight of 287.75 g/mol, XLogP of 4.34, 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)-2-methylpropanoic acid is sourced from PubChem (CID 10446783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).